data_1a03_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 1a03 _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 3' ' ' SER . . . . . . . . . . . . . 59.0 p . . . . . 0 N--CA 1.451 -0.382 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -51.75 -45.64 36.95 Favored 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 122.773 2.315 . . . . 0.0 111.224 168.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 60.9 tp -51.73 -58.78 5.41 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 123.484 0.713 . . . . 0.0 110.168 174.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -57.44 -46.97 82.99 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 111.477 0.177 . . . . 0.0 111.477 -177.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -54.63 -45.43 73.72 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 122.757 0.423 . . . . 0.0 110.248 175.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.88 -56.39 12.07 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 -174.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 18.4 pt -60.96 -41.05 87.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.35 -57.01 16.74 Favored Glycine 0 CA--C 1.526 0.733 0 C-N-CA 124.251 0.929 . . . . 0.0 111.068 176.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.7 mt -52.89 -48.81 66.89 Favored 'General case' 0 C--O 1.227 -0.126 0 CA-C-N 117.074 0.437 . . . . 0.0 110.206 175.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.0 tt -60.1 -57.38 13.07 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 120.515 0.198 . . . . 0.0 111.437 -175.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.8 pt -64.78 -38.24 82.21 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 O-C-N 121.527 -0.733 . . . . 0.0 110.612 -178.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.73 -58.85 12.11 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 111.059 -0.817 . . . . 0.0 111.059 177.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -59.51 -40.45 81.9 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 O-C-N 122.014 -0.698 . . . . 0.0 109.158 -178.354 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -53.61 -52.73 58.91 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.484 0.584 . . . . 0.0 111.552 171.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -59.43 -33.01 70.73 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 122.965 0.506 . . . . 0.0 111.11 -178.065 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -71.17 -61.52 1.74 Allowed 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 173.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -43.47 -47.08 7.06 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 125.699 1.6 . . . . 0.0 111.602 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.0 m -39.18 -38.48 0.5 Allowed 'General case' 0 C--O 1.238 0.456 0 C-N-CA 126.266 1.826 . . . . 0.0 113.612 176.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -150.18 77.71 0.23 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 109.099 -1.6 . . . . 0.0 109.099 175.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -52.29 -38.64 58.93 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 119.011 1.405 . . . . 0.0 109.977 170.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -47.97 -39.53 19.69 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.678 1.591 . . . . 0.0 113.032 170.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 174.65 117.94 0.49 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 104.645 -3.382 . . . . 0.0 104.645 -173.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -57.68 85.09 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -166.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -65.63 155.51 35.66 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.545 1.138 . . . . 0.0 108.737 168.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -93.59 -8.82 40.1 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.401 0.681 . . . . 0.0 111.697 -178.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.0 p -126.58 158.89 35.07 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 127.422 2.289 . . . . 0.0 105.037 175.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.2 tp -91.44 126.24 36.46 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 122.835 0.454 . . . . 0.0 109.973 -167.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.5 p -93.96 147.29 23.24 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 122.867 0.467 . . . . 0.0 111.785 -175.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -50.33 -40.95 50.42 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 123.2 0.6 . . . . 0.0 111.377 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -46.9 -57.26 5.13 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.156 0.582 . . . . 0.0 110.536 175.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -72.19 -37.24 69.33 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.493 -173.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 67.3 tp -53.38 -49.25 67.59 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 120.893 0.378 . . . . 0.0 110.305 170.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -65.23 -39.76 93.18 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.611 0.765 . . . . 0.0 110.512 -178.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -55.72 -53.2 59.57 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 121.378 -0.826 . . . . 0.0 110.464 170.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 66.2 tp -54.18 -50.7 66.43 Favored 'General case' 0 C--O 1.223 -0.309 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.0 mt -54.52 -54.17 24.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 C-N-CA 122.931 0.492 . . . . 0.0 110.101 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -55.27 -49.81 71.13 Favored 'General case' 0 CA--C 1.531 0.227 0 O-C-N 121.771 -0.581 . . . . 0.0 111.221 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -58.31 -50.87 72.09 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 120.838 0.351 . . . . 0.0 110.447 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 . . . . . 0 N--CA 1.45 -0.454 0 C-N-CA 124.686 1.194 . . . . 0.0 110.799 177.309 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 . . . . . 0 N--CA 1.451 -0.391 0 CA-C-O 119.053 -0.499 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.4 mt -68.88 -42.06 82.35 Favored 'Isoleucine or valine' 0 C--N 1.341 0.221 0 CA-C-N 119.216 0.916 . . . . 0.0 110.216 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 70.6 t -56.47 -52.66 50.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 175.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -54.18 -56.62 16.44 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 177.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 36.2 tp -47.46 -63.12 1.13 Allowed 'General case' 0 C--O 1.226 -0.17 0 C-N-CA 124.783 1.233 . . . . 0.0 109.326 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 49.3 ttp -55.8 -53.5 55.88 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 123.252 0.621 . . . . 0.0 110.213 -175.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -55.91 -53.91 51.12 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 122.221 0.208 . . . . 0.0 111.167 -178.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -65.85 -45.26 82.87 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 122.206 -0.309 . . . . 0.0 111.041 -175.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.5 tp -77.66 -55.56 5.25 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.832 0.853 . . . . 0.0 111.319 -169.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -84.09 67.63 9.77 Favored 'General case' 0 C--O 1.231 0.108 0 O-C-N 121.798 -0.564 . . . . 0.0 110.619 -169.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -75.08 72.63 2.21 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.273 0.559 . . . . 0.0 109.786 177.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 78.04 -53.87 0.5 Allowed 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 126.938 2.095 . . . . 0.0 109.577 -178.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -58.87 101.21 0.08 Allowed 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 170.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -126.1 -53.82 1.51 Allowed 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 125.053 1.341 . . . . 0.0 110.762 -172.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.59 -45.52 9.52 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 122.407 1.098 . . . . 0.0 111.423 173.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -142.86 138.7 30.48 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 105.185 -2.154 . . . . 0.0 105.185 169.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.1 t -119.44 142.14 36.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 C-N-CA 125.827 1.651 . . . . 0.0 107.794 -173.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -92.99 144.36 25.33 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 121.364 0.602 . . . . 0.0 110.879 -170.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -42.71 -42.81 3.65 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.186 1.394 . . . . 0.0 113.528 176.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -54.73 -43.62 72.82 Favored 'General case' 0 C--O 1.233 0.217 0 O-C-N 121.358 -0.839 . . . . 0.0 111.064 178.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -64.03 -46.04 86.23 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 -178.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -54.06 -46.08 71.87 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 122.773 0.429 . . . . 0.0 111.033 173.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 12.1 mm -58.4 -52.62 57.08 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 118.602 0.637 . . . . 0.0 110.741 177.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.1 p -59.28 -38.29 79.79 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 120.57 -1.331 . . . . 0.0 111.044 177.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -60.79 -38.98 87.16 Favored 'General case' 0 CA--C 1.529 0.172 0 O-C-N 121.96 -0.463 . . . . 0.0 111.31 173.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.2 tt -53.3 -52.65 58.41 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 173.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.51 -57.92 13.96 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 112.093 -0.403 . . . . 0.0 112.093 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.5 -43.72 80.01 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.432 0.693 . . . . 0.0 111.707 -177.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.2 tp -62.73 -58.75 6.38 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.679 0.792 . . . . 0.0 108.891 177.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -52.69 -38.09 60.01 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.476 0.71 . . . . 0.0 111.463 -178.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 46.0 tpp -50.66 -37.22 39.58 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.319 0.509 . . . . 0.0 112.095 175.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 46.5 mm -58.15 -32.77 45.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 O-C-N 121.37 -0.831 . . . . 0.0 110.66 178.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -75.0 7.39 3.27 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.752 0.821 . . . . 0.0 111.192 179.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -5.2 -68.06 0.0 OUTLIER 'General case' 0 C--N 1.345 0.383 0 C-N-CA 129.461 3.105 . . . . 0.0 115.767 175.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -56.12 -51.91 66.24 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 118.846 0.748 . . . . 0.0 110.682 -177.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.76 -38.07 76.63 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.156 0.582 . . . . 0.0 110.081 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 54.1 tp . . . . . 0 CA--C 1.532 0.263 0 C-N-CA 122.998 0.519 . . . . 0.0 110.972 179.38 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.537 0.468 0 N-CA-C 115.468 1.655 . . . . 0.0 115.468 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -59.88 -44.98 26.79 Favored 'Trans proline' 0 CA--C 1.535 0.526 0 C-N-CA 122.089 1.859 . . . . 0.0 111.644 178.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.65 -50.17 72.25 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 179.374 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -57.25 -40.95 78.69 Favored 'General case' 0 C--O 1.224 -0.272 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 177.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.69 -45.14 81.96 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 122.973 0.509 . . . . 0.0 110.117 172.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.51 -46.41 86.21 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.942 -0.474 . . . . 0.0 110.744 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 27.3 mm -53.98 -48.52 63.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 172.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.65 -52.67 24.07 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 125.018 1.294 . . . . 0.0 111.114 176.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 80.0 mt -59.15 -48.92 79.82 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 117.751 0.776 . . . . 0.0 111.039 176.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 6.0 tt -55.8 -49.21 73.81 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 118.431 0.559 . . . . 0.0 111.455 -178.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 16.9 mm -54.63 -51.19 53.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 C-N-CA 123.997 0.919 . . . . 0.0 108.794 171.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -41.03 -53.58 3.85 Favored Glycine 0 CA--C 1.526 0.746 0 C-N-CA 126.182 1.848 . . . . 0.0 111.534 174.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 44.5 mm -68.17 -62.99 1.03 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 118.016 0.908 . . . . 0.0 110.33 177.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -51.37 -47.84 62.7 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.439 0.696 . . . . 0.0 112.423 -168.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 11.4 p-80 -62.49 -25.92 68.26 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -172.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -59.95 -40.41 88.88 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 118.831 0.742 . . . . 0.0 109.84 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -73.88 -58.9 2.99 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 174.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.7 t -55.98 -33.29 64.69 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.154 0.582 . . . . 0.0 112.494 -169.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.92 -36.17 55.12 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 121.636 -0.665 . . . . 0.0 112.039 174.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 34.1 mtmm -77.59 66.5 3.32 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.655 -0.909 . . . . 0.0 110.353 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 65.61 22.82 11.71 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 126.421 1.888 . . . . 0.0 113.759 173.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.51 51.93 4.04 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 110.381 -1.088 . . . . 0.0 110.381 171.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -60.09 152.41 24.29 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.487 0.715 . . . . 0.0 110.425 -173.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt 66.56 20.57 10.81 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.954 1.302 . . . . 0.0 111.89 -176.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 9.6 m80 68.24 62.86 0.37 Allowed 'General case' 0 C--O 1.234 0.275 0 C-N-CA 124.73 1.212 . . . . 0.0 109.298 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 35.7 p -130.91 173.14 11.27 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 124.129 0.972 . . . . 0.0 109.39 -176.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 50.8 tp -128.61 102.05 6.43 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 129.434 3.094 . . . . 0.0 105.332 -177.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 94.1 p -92.52 167.15 12.14 Favored 'General case' 0 CA--C 1.529 0.152 0 O-C-N 121.954 -0.466 . . . . 0.0 111.867 -169.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.39 -46.92 13.52 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.758 1.223 . . . . 0.0 111.48 179.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -50.92 -57.83 7.54 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.195 0.998 . . . . 0.0 109.739 176.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -59.81 -42.93 94.58 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.924 -176.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 63.0 mt -56.5 -56.6 19.25 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 118.532 -0.747 . . . . 0.0 110.466 175.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -58.82 -38.39 78.52 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.873 1.215 . . . . 0.0 111.288 -176.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -59.54 -53.72 54.79 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 121.51 -0.744 . . . . 0.0 110.846 173.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 68.5 tp -54.08 -52.24 61.59 Favored 'General case' 0 C--O 1.225 -0.222 0 C-N-CA 122.727 0.411 . . . . 0.0 110.339 178.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 9.9 mm -50.52 -52.78 14.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 C-N-CA 124.47 1.108 . . . . 0.0 110.204 177.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -54.39 -50.9 66.45 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.051 0.387 . . . . 0.0 110.862 177.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.535 0.386 0 CA-C-N 118.021 0.373 . . . . 0.0 111.863 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 11.8 tp . . . . . 0 N--CA 1.455 -0.199 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -50.69 -55.38 16.84 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.07 0.548 . . . . 0.0 109.556 -176.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -54.96 -60.15 3.77 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 122.257 0.223 . . . . 0.0 111.184 179.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -56.27 -43.6 78.93 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 123.829 0.852 . . . . 0.0 111.437 -172.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 11.1 mp -76.31 -41.57 48.12 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 119.605 -0.236 . . . . 0.0 111.051 -178.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -78.26 60.15 2.45 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -171.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -80.74 64.18 5.42 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 105.013 -2.218 . . . . 0.0 105.013 165.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 69.67 -41.24 0.48 Allowed 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.817 2.047 . . . . 0.0 113.016 -173.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -70.45 23.7 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 -169.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -48.54 -32.36 7.89 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 120.105 1.32 . . . . 0.0 112.575 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -58.3 -47.51 83.44 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 125.266 1.427 . . . . 0.0 111.074 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -146.62 93.6 2.31 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 126.015 1.726 . . . . 0.0 108.53 -178.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 90.9 t -92.08 141.96 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 N-CA-C 106.061 -1.829 . . . . 0.0 106.061 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -91.35 147.03 23.32 Favored 'General case' 0 C--N 1.332 -0.174 0 O-C-N 120.952 -1.092 . . . . 0.0 109.712 -171.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -42.12 -45.11 3.89 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 174.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -57.36 -33.54 67.89 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.153 -0.967 . . . . 0.0 111.959 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -71.34 -40.36 70.77 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 121.512 -0.743 . . . . 0.0 109.969 176.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -57.11 -45.92 83.04 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.857 -0.527 . . . . 0.0 110.41 171.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 22.8 mm -57.21 -48.43 82.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 O-C-N 121.29 -0.881 . . . . 0.0 110.697 172.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 29.4 m -55.94 -39.83 72.29 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 121.798 -0.564 . . . . 0.0 110.443 176.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -60.88 -42.81 98.68 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.325 0.65 . . . . 0.0 111.44 174.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 tt -53.06 -48.53 67.62 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 172.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.56 -57.65 8.17 Favored Glycine 0 CA--C 1.531 1.067 0 N-CA-C 111.471 -0.651 . . . . 0.0 111.471 170.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.04 -41.67 71.69 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 125.333 1.453 . . . . 0.0 112.04 -176.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 78.4 mt -56.62 -59.23 5.3 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 173.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.86 -39.93 75.22 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.997 -0.44 . . . . 0.0 111.374 -179.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 47.4 mtt -56.93 -14.01 3.17 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -178.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 2.0 pp -57.42 -18.95 9.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 CA-C-N 119.832 1.196 . . . . 0.0 112.065 169.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 12.8 m-30 -63.73 78.25 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.834 0.743 . . . . 0.0 109.877 169.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.92 151.88 6.21 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 124.341 1.056 . . . . 0.0 112.438 -176.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 66.57 -68.39 0.14 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 125.659 1.584 . . . . 0.0 110.091 -171.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -46.59 -50.01 18.07 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.901 1.281 . . . . 0.0 111.609 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 97.4 mt . . . . . 0 CA--C 1.531 0.217 0 C-N-CA 124.263 1.025 . . . . 0.0 109.709 173.093 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 CA--C 1.54 0.567 0 N-CA-C 115.267 1.581 . . . . 0.0 115.267 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -55.2 -50.64 12.37 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 122.265 1.977 . . . . 0.0 112.6 177.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.8 mp -60.66 -42.81 97.77 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -60.15 -54.63 43.54 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 122.398 0.279 . . . . 0.0 110.804 -177.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -63.83 -33.21 75.16 Favored 'General case' 0 CA--C 1.531 0.212 0 O-C-N 122.072 -0.392 . . . . 0.0 110.723 178.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.4 -51.91 63.83 Favored 'General case' 0 C--N 1.34 0.162 0 CA-C-N 118.398 0.545 . . . . 0.0 109.75 178.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.2 mm -49.67 -59.02 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.339 0.152 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 172.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.52 -54.97 9.82 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.649 -0.58 . . . . 0.0 111.649 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.26 -57.81 10.04 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.532 0.733 . . . . 0.0 110.197 -176.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 55.8 mt -61.68 -49.42 76.57 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 123.117 0.567 . . . . 0.0 111.066 -173.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.2 mp -70.37 -33.91 55.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -178.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.11 -54.39 31.89 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 170.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.9 mt -52.57 -51.86 31.14 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 117.532 0.666 . . . . 0.0 109.51 175.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -51.09 -46.3 61.76 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 121.205 0.526 . . . . 0.0 110.885 176.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 54.6 m80 -70.25 -10.94 60.41 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -57.15 -38.96 74.3 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 120.698 1.59 . . . . 0.0 108.098 167.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -81.63 -70.07 0.57 Allowed 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.154 0.982 . . . . 0.0 110.421 170.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.8 m -68.2 -5.95 20.86 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 -168.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.06 -36.38 93.38 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.366 -1.094 . . . . 0.0 110.366 169.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -63.0 -50.42 70.82 Favored 'General case' 0 C--N 1.341 0.209 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 172.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -81.03 54.2 2.16 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 122.78 0.432 . . . . 0.0 110.902 178.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.79 158.79 23.59 Favored Glycine 0 CA--C 1.531 1.078 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 175.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . 0.29 0.7 OUTLIER 68.69 -44.3 0.52 Allowed 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 126.56 1.944 . . . . 0.0 113.124 -175.74 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -71.49 -50.74 28.55 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 171.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 53.85 53.06 11.87 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.097 1.359 . . . . 0.0 110.65 -176.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.9 p -134.68 172.91 12.28 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 127.621 2.369 . . . . 0.0 105.985 174.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.6 tt -124.44 105.7 9.62 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.757 1.223 . . . . 0.0 108.136 -171.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.8 p -92.79 167.83 11.6 Favored 'General case' 0 N--CA 1.462 0.174 0 O-C-N 120.861 -1.149 . . . . 0.0 111.39 -173.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.7 pttt -33.46 -40.05 0.06 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.616 1.966 . . . . 0.0 114.714 172.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -61.8 -56.75 16.2 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.855 0.836 . . . . 0.0 110.279 177.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.4 mp0 -62.16 -39.6 93.17 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 124.215 1.006 . . . . 0.0 110.204 178.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.0 tp -58.27 -52.91 63.6 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 176.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -53.73 -49.09 68.9 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 177.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 54.1 tt0 -51.98 -56.62 13.11 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 122.644 0.378 . . . . 0.0 110.886 177.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 49.3 tp -55.29 -59.23 5.08 Favored 'General case' 0 N--CA 1.458 -0.049 0 C-N-CA 123.768 0.827 . . . . 0.0 110.301 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 33.9 mm -53.37 -51.66 38.98 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 C-N-CA 123.766 0.826 . . . . 0.0 109.265 -177.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -52.08 -50.0 62.45 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.453 0.701 . . . . 0.0 110.609 177.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -59.77 -46.13 90.13 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 117.845 0.293 . . . . 0.0 111.349 178.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 . . . . . 0 CA--C 1.535 0.37 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 178.173 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 . . . . . 0 CA--C 1.538 0.51 0 CA-C-O 118.886 -0.578 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.5 mm -66.4 -42.99 91.38 Favored 'Isoleucine or valine' 0 C--N 1.343 0.313 0 CA-C-N 119.854 1.207 . . . . 0.0 109.998 175.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 92.7 t -58.12 -46.68 88.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 O-C-N 121.493 -0.754 . . . . 0.0 109.981 173.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -56.39 -46.27 80.2 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.912 -0.493 . . . . 0.0 110.448 176.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.1 tp -57.58 -50.43 73.14 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 122.864 0.466 . . . . 0.0 110.171 176.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.1 ttt -52.68 -50.0 64.15 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 122.881 0.473 . . . . 0.0 110.145 178.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -57.85 -53.47 57.9 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 122.648 0.379 . . . . 0.0 111.082 176.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -51.12 -47.54 61.95 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 123.816 0.846 . . . . 0.0 111.005 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.97 -58.55 6.4 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 176.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -68.74 -15.41 63.5 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -169.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 32.3 ptt-85 -18.12 -58.18 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 128.013 2.525 . . . . 0.0 116.284 -172.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -85.24 44.12 1.06 Allowed 'General case' 0 CA--C 1.535 0.401 0 O-C-N 120.916 -1.115 . . . . 0.0 110.061 -174.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 74.7 tttt 43.3 32.74 0.51 Allowed 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.588 1.555 . . . . 0.0 110.966 -168.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -84.0 72.3 10.46 Favored 'General case' 0 C--O 1.224 -0.26 0 O-C-N 121.379 -0.825 . . . . 0.0 110.389 -168.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -23.88 13.42 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.87 0.868 . . . . 0.0 112.357 171.399 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -103.8 103.75 13.66 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 105.443 -2.058 . . . . 0.0 105.443 167.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.9 t -91.27 131.53 38.15 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 -170.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -92.2 139.09 30.97 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 106.471 -1.678 . . . . 0.0 106.471 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -39.4 -35.64 0.29 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.351 1.861 . . . . 0.0 113.145 172.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -51.09 -39.13 55.37 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 120.677 -1.264 . . . . 0.0 112.743 172.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.03 -36.92 83.16 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 120.946 -1.097 . . . . 0.0 111.173 174.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -60.85 -44.5 96.92 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 173.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.4 mp -56.15 -47.2 80.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 O-C-N 121.801 -0.562 . . . . 0.0 110.703 170.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.7 m -56.25 -47.64 78.11 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -51.46 -52.32 47.39 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.595 1.158 . . . . 0.0 110.765 172.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.1 tp -56.5 -52.38 64.95 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -51.51 -55.52 19.53 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 178.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.23 -55.86 29.22 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.355 0.662 . . . . 0.0 111.142 -178.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -60.27 -39.48 87.0 Favored 'General case' 0 CA--C 1.527 0.077 0 C-N-CA 122.748 0.419 . . . . 0.0 111.075 -175.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.45 -55.54 15.19 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 121.818 -0.551 . . . . 0.0 110.38 174.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 16.4 tpt -54.8 -43.76 73.17 Favored 'General case' 0 CA--C 1.528 0.105 0 C-N-CA 124.239 1.016 . . . . 0.0 111.631 -172.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.4 tp -60.59 -25.09 33.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-O 119.403 -0.332 . . . . 0.0 111.491 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -77.91 53.47 1.16 Allowed 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.095 -1.003 . . . . 0.0 109.732 171.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -49.31 -47.79 46.76 Favored 'General case' 0 CA--C 1.527 0.066 0 C-N-CA 125.321 1.448 . . . . 0.0 111.532 -170.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -62.82 -41.92 99.51 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.364 0.666 . . . . 0.0 110.406 -178.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.79 -41.73 82.72 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.3 tt . . . . . 0 N--CA 1.453 -0.325 0 C-N-CA 123.072 0.549 . . . . 0.0 110.314 179.028 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 15.3 m . . . . . 0 CA--C 1.532 0.271 0 N-CA-C 106.601 -1.629 . . . . 0.0 106.601 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -38.76 -55.04 1.45 Allowed 'Trans proline' 0 N--CA 1.459 -0.552 1 C-N-CA 125.328 4.019 . . . . 0.0 115.354 -169.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -57.37 -42.32 81.88 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.862 -0.524 . . . . 0.0 112.297 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -71.3 -46.9 59.67 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 122.975 0.51 . . . . 0.0 109.734 -177.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -48.91 -49.11 41.58 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.297 0.639 . . . . 0.0 109.309 171.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.47 -57.25 8.72 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.75 0.42 . . . . 0.0 111.079 -174.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 13.2 tt -62.73 -39.52 85.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 120.728 -0.389 . . . . 0.0 109.992 -177.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.18 -53.18 46.68 Favored Glycine 0 CA--C 1.528 0.883 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 174.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -52.82 -54.83 28.66 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.899 0.879 . . . . 0.0 109.256 177.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 tt -53.91 -52.73 59.62 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.232 0.613 . . . . 0.0 110.796 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 60.9 mt -55.26 -52.74 42.35 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.233 0 C-N-CA 123.376 0.67 . . . . 0.0 109.878 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.96 -54.64 33.89 Favored Glycine 0 CA--C 1.529 0.932 0 N-CA-C 111.289 -0.724 . . . . 0.0 111.289 -178.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.6 mp -59.77 -43.56 91.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 O-C-N 122.088 -0.654 . . . . 0.0 110.084 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -60.02 -50.04 75.29 Favored 'General case' 0 N--CA 1.457 -0.097 0 CA-C-N 118.887 0.767 . . . . 0.0 110.946 177.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -52.17 -42.31 63.33 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.092 0.957 . . . . 0.0 109.974 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -70.5 -60.21 2.4 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -58.93 -38.16 78.34 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 125.022 1.329 . . . . 0.0 111.42 -169.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 10.8 t -72.56 58.77 0.43 Allowed 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.558 1.143 . . . . 0.0 109.547 171.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 44.42 44.45 8.02 Favored Glycine 0 CA--C 1.529 0.924 0 C-N-CA 125.628 1.585 . . . . 0.0 113.746 174.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 20.1 mtmm 54.44 31.1 14.0 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.972 0.909 . . . . 0.0 112.072 -178.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 64.59 -60.98 0.21 Allowed 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 128.104 2.562 . . . . 0.0 114.561 178.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -36.27 105.53 0.03 OUTLIER Glycine 0 CA--C 1.53 1.031 0 C-N-CA 125.14 1.352 . . . . 0.0 112.922 -171.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 23.8 t70 72.06 -55.38 0.67 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.865 1.666 . . . . 0.0 111.568 -174.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -74.58 56.56 0.69 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.546 0.738 . . . . 0.0 111.417 178.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -77.28 19.08 0.35 Allowed 'General case' 0 CA--C 1.539 0.544 0 O-C-N 120.823 -1.173 . . . . 0.0 112.147 -177.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 68.1 p -146.58 170.4 16.98 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 126.539 1.936 . . . . 0.0 106.424 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 10.9 mp -91.65 105.54 17.81 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 106.514 -1.661 . . . . 0.0 106.514 176.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 8.7 t -94.33 175.37 6.71 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.119 1.368 . . . . 0.0 110.595 173.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -26.82 -64.68 0.07 Allowed 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 128.127 2.571 . . . . 0.0 114.157 -171.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -58.88 -53.34 59.49 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 118.116 0.416 . . . . 0.0 110.071 -174.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -54.84 -46.06 74.57 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.506 0.722 . . . . 0.0 110.321 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.19 -57.9 9.77 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.245 0.618 . . . . 0.0 110.354 -178.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -53.92 -46.82 71.58 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 123.104 0.562 . . . . 0.0 110.352 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 52.0 tt0 -57.11 -47.96 79.79 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.508 0.723 . . . . 0.0 109.914 177.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 39.8 tp -60.59 -56.05 25.98 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -176.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 31.3 pt -60.08 -47.55 91.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.354 -174.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -64.67 -37.84 88.95 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 118.981 0.81 . . . . 0.0 111.051 -177.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? . . . . . 0 N--CA 1.455 -0.214 0 CA-C-N 118.159 0.436 . . . . 0.0 110.579 175.93 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 7.3 mp . . . . . 0 N--CA 1.454 -0.226 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -47.11 -59.42 3.15 Favored 'General case' 0 C--O 1.225 -0.215 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 177.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -53.21 -54.8 30.77 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.838 0.455 . . . . 0.0 111.163 178.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -58.02 -40.11 80.01 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.991 0.916 . . . . 0.0 112.643 -173.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -80.23 -43.32 21.62 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.655 0.662 . . . . 0.0 110.501 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -54.6 -59.71 4.34 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 124.455 1.102 . . . . 0.0 111.508 -178.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 70.66 -59.53 0.53 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.447 1.499 . . . . 0.0 109.972 -168.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -168.89 -39.88 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.36 1.464 . . . . 0.0 111.054 179.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 7.6 pttm -56.96 -34.46 68.08 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -170.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 16.2 t70 60.34 -70.2 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 127.784 2.434 . . . . 0.0 113.283 177.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.5 23.29 0.12 Allowed 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -168.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -147.09 97.82 2.94 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 125.025 1.33 . . . . 0.0 107.986 171.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 90.1 t -115.57 117.03 54.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 N-CA-C 106.198 -1.778 . . . . 0.0 106.198 168.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -90.45 159.63 16.45 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 123.215 0.606 . . . . 0.0 109.914 -169.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -43.78 -48.41 8.13 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.183 0.593 . . . . 0.0 112.255 174.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -51.44 -47.91 62.89 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 121.852 -0.53 . . . . 0.0 110.578 174.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -66.29 -33.15 75.09 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 123.044 0.538 . . . . 0.0 110.538 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -58.82 -47.89 83.23 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 118.829 0.74 . . . . 0.0 110.156 172.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -62.4 -44.92 99.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 C-N-CA 119.677 -0.809 . . . . 0.0 109.679 177.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 22.6 m -56.23 -37.52 69.83 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.836 -0.54 . . . . 0.0 111.312 174.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -62.07 -50.04 73.55 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 124.236 1.015 . . . . 0.0 109.524 176.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 5.8 tt -52.2 -52.21 53.6 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.376 0.67 . . . . 0.0 109.279 174.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.88 -59.91 7.57 Favored Glycine 0 CA--C 1.524 0.642 0 C-N-CA 124.044 0.83 . . . . 0.0 111.504 176.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.82 -41.41 67.33 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 125.088 1.355 . . . . 0.0 111.255 -178.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 51.2 tp -63.57 -55.61 22.47 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.55 -41.51 75.82 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 113.383 0.882 . . . . 0.0 113.383 -174.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 3.7 ppp? -57.24 -19.91 24.19 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -168.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 10.6 pt -61.56 -35.81 69.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-N 118.638 0.654 . . . . 0.0 110.304 174.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 63.44 165.99 0.13 Allowed 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 126.077 1.751 . . . . 0.0 113.243 -177.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 48.8 t30 60.81 -76.65 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 125.296 1.438 . . . . 0.0 109.979 -168.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -68.62 166.43 17.21 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 168.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 69.23 -60.75 0.45 Allowed 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 125.812 1.645 . . . . 0.0 109.918 -169.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 9.7 mp . . . . . 0 CA--C 1.534 0.357 0 C-N-CA 123.99 0.916 . . . . 0.0 109.253 170.76 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.0 p . . . . . 0 CA--C 1.538 0.492 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -49.6 -42.87 41.58 Favored 'Trans proline' 0 N--CA 1.457 -0.673 0 C-N-CA 122.432 2.088 . . . . 0.0 111.8 169.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.9 tt -60.94 -51.72 68.07 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 122.826 0.45 . . . . 0.0 110.162 176.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -58.53 -46.35 86.98 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 120.693 0.283 . . . . 0.0 111.088 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -52.73 -48.28 66.78 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 122.937 0.495 . . . . 0.0 110.002 172.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.03 -51.95 64.78 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 122.307 0.243 . . . . 0.0 110.807 -173.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.2 pt -61.66 -39.66 84.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.02 177.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.03 -54.93 23.68 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.46 -0.656 . . . . 0.0 111.46 174.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.5 mp -56.26 -51.52 67.85 Favored 'General case' 0 N--CA 1.454 -0.228 0 O-C-N 122.221 -0.576 . . . . 0.0 109.861 175.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 69.3 tp -52.61 -55.17 24.27 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 118.295 0.498 . . . . 0.0 112.112 -178.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.1 pt -60.34 -41.17 86.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-O 119.005 -0.522 . . . . 0.0 109.772 -178.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -52.95 -54.51 28.35 Favored Glycine 0 CA--C 1.533 1.163 0 N-CA-C 111.61 -0.596 . . . . 0.0 111.61 171.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.5 mp -53.25 -50.45 46.89 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 C-N-CA 124.194 0.997 . . . . 0.0 110.06 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -57.24 -50.47 72.79 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.437 0.637 . . . . 0.0 110.423 177.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -56.21 -31.42 63.47 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 123.999 0.92 . . . . 0.0 111.751 -177.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -48.93 -49.08 41.92 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 119.381 0.992 . . . . 0.0 110.379 173.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -76.75 -63.45 1.35 Allowed 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.517 -0.919 . . . . 0.0 108.517 -177.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.0 m -55.34 -39.38 69.94 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.45 0.7 . . . . 0.0 112.539 -172.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -47.75 -44.18 23.51 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 124.29 0.948 . . . . 0.0 112.031 177.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -62.93 -23.38 67.35 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 118.014 0.907 . . . . 0.0 112.431 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -103.41 7.39 38.04 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.072 0.949 . . . . 0.0 110.985 175.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.99 115.94 0.09 OUTLIER Glycine 0 CA--C 1.529 0.933 0 N-CA-C 107.76 -2.136 . . . . 0.0 107.76 -168.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -77.18 61.46 2.09 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 118.344 1.072 . . . . 0.0 112.589 -172.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.3 pttm -78.98 51.36 1.12 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.072 1.349 . . . . 0.0 108.875 169.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 46.08 46.92 12.98 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 126.281 1.832 . . . . 0.0 112.726 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.2 t -147.09 164.59 32.57 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 121.715 -0.616 . . . . 0.0 109.673 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.7 tt -142.46 118.75 10.82 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 104.46 -2.422 . . . . 0.0 104.46 172.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.8 t -116.86 168.97 9.75 Favored 'General case' 0 N--CA 1.462 0.126 0 C-N-CA 123.962 0.905 . . . . 0.0 111.43 -169.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.7 tttp -21.56 -60.96 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 129.465 3.106 . . . . 0.0 114.007 -175.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -52.55 -60.89 2.69 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.106 0.962 . . . . 0.0 110.316 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -67.0 -27.92 67.83 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 119.095 -0.478 . . . . 0.0 111.453 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.53 -53.75 53.71 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 174.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -55.34 -52.82 62.26 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 123.451 0.7 . . . . 0.0 110.139 177.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -53.82 -49.65 67.92 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 110.585 -0.154 . . . . 0.0 110.585 177.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.9 tp -53.95 -59.83 4.12 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 118.294 -0.86 . . . . 0.0 109.595 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 38.6 pt -58.04 -43.64 85.52 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 CA-C-N 119.387 0.994 . . . . 0.0 110.73 -176.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.2 tp60 -58.84 -48.86 79.86 Favored 'General case' 0 N--CA 1.453 -0.307 0 O-C-N 122.17 -0.331 . . . . 0.0 111.39 -178.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -76.26 -35.09 59.11 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.583 0.353 . . . . 0.0 110.905 -176.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 . . . . . 0 CA--C 1.532 0.259 0 C-N-CA 124.535 1.134 . . . . 0.0 110.645 172.319 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 . . . . . 0 CA--C 1.536 0.415 0 CA-C-O 119.117 -0.468 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.4 mp -62.51 -44.71 99.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-N 119.538 1.063 . . . . 0.0 109.703 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 42.2 t -58.49 -46.09 89.84 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 C-N-CA 123.712 0.805 . . . . 0.0 109.846 176.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -56.61 -45.48 81.46 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 122.118 -0.363 . . . . 0.0 110.488 175.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 31.0 tp -58.63 -50.62 73.16 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.247 0.476 . . . . 0.0 110.135 177.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.6 mmm -49.15 -56.42 9.26 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.282 0.633 . . . . 0.0 110.206 174.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -57.67 -43.49 85.06 Favored 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 123.418 0.687 . . . . 0.0 111.049 -178.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -60.96 -50.13 74.65 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.526 0.603 . . . . 0.0 111.102 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.98 -45.72 76.81 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.367 0.267 . . . . 0.0 111.071 -178.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -66.62 -56.89 8.61 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 123.563 0.745 . . . . 0.0 110.78 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . 0.324 24.0 ptt-85 54.23 -57.89 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 129.891 3.276 . . . . 0.0 115.858 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -61.16 -58.22 9.24 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 119.094 0.861 . . . . 0.0 110.343 177.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? 73.07 -44.81 0.6 Allowed 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 125.229 1.412 . . . . 0.0 113.639 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -68.13 74.8 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 124.35 1.06 . . . . 0.0 109.125 171.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -169.86 179.95 3.47 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 122.578 1.18 . . . . 0.0 111.269 -169.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -112.73 129.27 56.47 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 103.01 -2.959 . . . . 0.0 103.01 167.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 62.2 t -106.76 135.28 45.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 105.543 -2.021 . . . . 0.0 105.543 172.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -91.73 151.97 20.39 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 119.1 0.864 . . . . 0.0 109.166 -177.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -42.13 -44.05 3.52 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.919 1.288 . . . . 0.0 113.0 177.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -64.64 -32.82 74.66 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.576 1.08 . . . . 0.0 111.406 -179.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -69.09 -44.83 71.71 Favored 'General case' 0 C--N 1.339 0.118 0 O-C-N 120.862 -1.149 . . . . 0.0 110.004 173.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -50.72 -48.93 58.72 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 121.144 0.497 . . . . 0.0 110.037 174.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 12.0 mm -59.56 -53.8 43.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 124.341 1.056 . . . . 0.0 111.304 177.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 64.9 m -53.55 -44.7 69.46 Favored 'General case' 0 C--O 1.237 0.438 0 O-C-N 121.753 -0.592 . . . . 0.0 110.032 179.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -61.7 -43.45 98.83 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.813 1.245 . . . . 0.0 110.855 175.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.22 -46.16 68.98 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 174.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.71 -59.44 10.25 Favored Glycine 0 CA--C 1.529 0.918 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 174.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.17 -49.45 66.62 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 122.865 0.466 . . . . 0.0 111.648 -177.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 24.5 tp -52.72 -63.65 1.07 Allowed 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 125.774 1.63 . . . . 0.0 109.786 174.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.9 -32.7 67.98 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 123.539 0.735 . . . . 0.0 111.725 -174.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 12.0 tpt -59.05 -14.07 8.59 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.862 -0.524 . . . . 0.0 112.381 176.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 14.7 tt -49.48 -31.68 5.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-N 119.456 1.025 . . . . 0.0 111.306 169.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -75.41 57.19 0.9 Allowed 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.519 -0.738 . . . . 0.0 110.681 172.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.36 24.27 0.14 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.921 1.288 . . . . 0.0 113.407 -172.308 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.84 -39.73 1.94 Allowed 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 126.709 2.004 . . . . 0.0 109.289 177.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.03 -44.5 80.09 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 167.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.0 mp . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 104.71 -2.33 . . . . 0.0 104.71 168.189 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.537 0.454 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -57.94 -43.21 50.74 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 122.359 2.039 . . . . 0.0 111.951 176.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 10.0 tt -62.86 -50.06 72.4 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 178.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -55.71 -47.0 77.6 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 122.144 -0.347 . . . . 0.0 111.357 177.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.86 -40.52 76.28 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 122.947 0.499 . . . . 0.0 110.192 175.122 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.17 -48.71 77.24 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 119.254 -0.403 . . . . 0.0 110.066 178.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 50.3 mm -51.83 -55.83 8.01 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 174.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.73 -51.93 26.85 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 124.101 0.857 . . . . 0.0 111.487 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 53.9 tp -60.47 -49.37 77.84 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 122.323 -0.516 . . . . 0.0 110.426 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 30.9 mt -58.07 -52.02 67.27 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 123.096 0.558 . . . . 0.0 111.406 -178.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 27.1 pt -59.67 -40.85 83.38 Favored 'Isoleucine or valine' 0 C--N 1.34 0.18 0 C-N-CA 119.885 -0.726 . . . . 0.0 109.576 176.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -48.5 -56.9 8.86 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 123.618 0.628 . . . . 0.0 111.746 172.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.6 mp -56.38 -54.62 25.94 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 C-N-CA 123.655 0.782 . . . . 0.0 109.568 178.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -54.5 -41.85 70.08 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.015 0.436 . . . . 0.0 110.657 -177.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -69.81 -14.5 62.79 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.091 1.356 . . . . 0.0 112.744 -177.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -61.18 -59.77 4.81 Favored 'General case' 0 C--N 1.342 0.279 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 169.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -65.79 -63.48 1.08 Allowed 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.7 m -75.48 65.63 1.76 Allowed 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 123.32 0.648 . . . . 0.0 109.938 176.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 158.4 -65.75 0.29 Allowed Glycine 0 C--N 1.333 0.414 0 CA-C-N 118.275 0.489 . . . . 0.0 113.768 169.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm -71.42 -38.67 71.37 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 117.57 0.685 . . . . 0.0 110.545 -174.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -97.17 -49.26 5.04 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.367 1.067 . . . . 0.0 110.202 -175.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -129.2 -171.72 13.02 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -62.97 139.63 58.78 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.154 0.982 . . . . 0.0 111.092 -169.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 44.8 pttt -77.99 59.35 2.14 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 -173.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -131.29 -79.8 0.52 Allowed 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.404 1.081 . . . . 0.0 110.726 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 17.8 p -144.99 169.89 17.22 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 124.598 1.159 . . . . 0.0 108.873 -167.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 mp -88.34 73.87 8.75 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 105.168 -2.16 . . . . 0.0 105.168 -176.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.73 171.34 8.94 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 126.75 2.02 . . . . 0.0 107.763 -175.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 57.2 mttm -33.26 -55.68 0.41 Allowed 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 -170.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -56.32 -54.77 41.51 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.29 0.567 . . . . 0.0 111.157 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 23.0 mp0 -62.19 -42.31 99.17 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.826 0.85 . . . . 0.0 109.516 -177.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.11 -51.17 68.99 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 123.291 0.636 . . . . 0.0 109.949 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -57.59 -45.86 84.75 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 121.844 -0.535 . . . . 0.0 110.399 177.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -53.37 -53.8 45.84 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 120.609 0.243 . . . . 0.0 110.348 173.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.5 tt -54.23 -50.96 65.96 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.423 0.689 . . . . 0.0 110.613 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 85.3 mt -52.66 -51.55 34.31 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.13 0 C-N-CA 123.455 0.702 . . . . 0.0 109.574 176.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -58.63 -49.43 77.52 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.286 0.494 . . . . 0.0 111.025 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp . . . . . 0 CA--C 1.533 0.324 0 CA-C-N 118.397 0.544 . . . . 0.0 111.37 -179.737 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 7.8 tt . . . . . 0 C--O 1.234 0.283 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -62.48 -36.85 83.79 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -177.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -67.76 -48.09 67.37 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 118.082 0.401 . . . . 0.0 110.265 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -56.22 -37.35 69.57 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.728 0.811 . . . . 0.0 110.738 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 23.0 tp -68.71 -70.45 0.27 Allowed 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.308 0.575 . . . . 0.0 109.743 169.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -84.11 62.98 7.41 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.246 0.619 . . . . 0.0 110.29 -170.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 37.9 mtp85 -54.63 -40.02 68.52 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.532 0.733 . . . . 0.0 111.137 -174.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -79.64 -4.63 52.54 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.714 0.806 . . . . 0.0 112.673 -177.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt 69.96 3.89 4.54 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.519 1.528 . . . . 0.0 113.687 -177.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -165.52 137.59 4.12 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 104.981 -2.229 . . . . 0.0 104.981 168.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -162.59 165.5 25.83 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 119.04 0.836 . . . . 0.0 108.788 -170.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -119.08 95.24 4.73 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 106.283 -1.747 . . . . 0.0 106.283 168.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 94.3 t -92.79 114.73 30.15 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 -169.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -89.97 158.79 17.22 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 173.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -50.1 -41.42 48.34 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.308 1.043 . . . . 0.0 112.45 -170.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -64.11 -36.52 84.31 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.603 -0.685 . . . . 0.0 111.939 176.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -67.51 -45.99 74.2 Favored 'General case' 0 C--N 1.339 0.128 0 CA-C-N 119.857 1.208 . . . . 0.0 109.641 175.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -50.2 -49.91 51.09 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 120.908 0.385 . . . . 0.0 110.185 174.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.37 -46.78 89.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 O-C-N 121.94 -0.475 . . . . 0.0 110.617 -178.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 72.2 m -56.19 -43.89 78.9 Favored 'General case' 0 C--O 1.236 0.359 0 O-C-N 121.216 -0.927 . . . . 0.0 109.889 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -56.47 -44.44 80.57 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.412 1.085 . . . . 0.0 110.938 170.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.61 -48.45 69.27 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 175.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.24 -54.85 27.31 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.659 -0.576 . . . . 0.0 111.659 175.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.84 -52.26 63.32 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 117.547 0.674 . . . . 0.0 111.177 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 38.8 tp -53.86 -55.21 28.8 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.752 1.621 . . . . 0.0 110.326 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.43 -42.44 87.32 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.636 178.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 48.1 ttm -62.9 -46.2 88.94 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.927 -0.483 . . . . 0.0 111.419 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 20.9 tt -65.36 -34.67 72.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 118.667 0.667 . . . . 0.0 110.551 175.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 19.7 m-30 -74.65 59.58 0.86 Allowed 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 122.557 1.17 . . . . 0.0 109.357 168.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -65.21 -47.58 76.38 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.362 -169.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 45.6 mp0 -76.22 53.9 0.85 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.576 1.55 . . . . 0.0 110.034 176.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -170.28 -49.53 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 127.301 2.24 . . . . 0.0 106.51 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 31.7 tp . . . . . 0 CA--C 1.532 0.264 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 168.978 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 CA--C 1.537 0.468 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -55.22 -41.16 81.18 Favored 'Trans proline' 0 CA--C 1.537 0.654 0 C-N-CA 121.834 1.689 . . . . 0.0 113.517 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.79 -53.32 48.86 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -64.44 -32.26 73.81 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 120.514 -0.474 . . . . 0.0 111.751 -178.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -63.63 -42.72 98.14 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.224 0.61 . . . . 0.0 110.317 171.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.9 -47.47 83.14 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 118.685 0.675 . . . . 0.0 110.504 178.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 93.5 mt -55.38 -47.36 78.21 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 172.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.66 -49.43 16.34 Favored Glycine 0 CA--C 1.528 0.869 0 C-N-CA 125.516 1.531 . . . . 0.0 111.563 172.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.3 tp -63.34 -46.45 86.52 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 121.961 -0.729 . . . . 0.0 110.375 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 70.2 mt -56.23 -56.09 25.24 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 118.128 0.422 . . . . 0.0 111.275 175.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.3 pp -64.11 -30.94 51.41 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.261 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.339 -178.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.13 -56.13 22.28 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 124.416 1.007 . . . . 0.0 111.62 176.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -60.7 -42.45 92.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-N 117.978 0.889 . . . . 0.0 108.839 179.165 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -54.57 -45.81 73.59 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.619 -0.676 . . . . 0.0 110.128 172.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -53.46 -36.78 61.99 Favored 'General case' 0 N--CA 1.456 -0.145 0 O-C-N 121.179 -0.95 . . . . 0.0 112.105 -175.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -52.54 -41.25 63.34 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 122.448 0.299 . . . . 0.0 110.606 178.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -79.05 -51.44 9.57 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 176.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -48.29 -38.77 19.68 Favored 'General case' 0 C--O 1.226 -0.175 0 C-N-CA 124.32 1.048 . . . . 0.0 112.601 -175.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -45.44 -37.55 6.49 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.605 1.098 . . . . 0.0 112.886 177.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -60.6 -20.92 61.94 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 118.205 1.003 . . . . 0.0 112.279 179.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -128.24 37.75 4.1 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.483 1.913 . . . . 0.0 109.393 170.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 49.64 -105.81 0.18 Allowed Glycine 0 CA--C 1.53 0.999 0 C-N-CA 125.378 1.466 . . . . 0.0 113.123 178.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -90.17 -9.23 48.95 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.371 0.668 . . . . 0.0 112.075 -174.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.4 mtmt -73.66 81.84 1.54 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 119.14 0.882 . . . . 0.0 109.374 177.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.4 m80 -73.59 72.48 1.43 Allowed 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 169.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.9 p -125.3 160.54 29.04 Favored 'General case' 0 N--CA 1.437 -1.08 0 C-N-CA 127.247 2.219 . . . . 0.0 105.584 175.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.4 mp -93.83 80.36 4.19 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 105.717 -1.956 . . . . 0.0 105.717 171.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.0 m -91.39 162.0 14.77 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 175.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -46.57 -42.49 16.04 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.883 0.873 . . . . 0.0 112.623 -169.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -57.3 -45.62 84.0 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.897 0.879 . . . . 0.0 111.607 175.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -68.6 -41.16 79.99 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 118.609 -0.71 . . . . 0.0 110.495 177.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.2 mp -53.35 -55.44 24.87 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 118.983 0.81 . . . . 0.0 109.245 173.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.7 tmmm? -51.17 -54.82 21.79 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.611 0.764 . . . . 0.0 109.565 179.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -61.93 -42.36 99.01 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 122.314 -0.241 . . . . 0.0 111.603 -176.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.3 tp -59.62 -54.1 50.4 Favored 'General case' 0 N--CA 1.456 -0.154 0 O-C-N 121.789 -0.569 . . . . 0.0 109.838 177.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 81.8 mt -56.0 -50.04 71.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -52.62 -54.05 38.56 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.376 1.07 . . . . 0.0 111.067 177.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -69.45 -44.77 70.59 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 122.839 0.456 . . . . 0.0 111.425 -173.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 . . . . . 0 CA--C 1.536 0.421 0 CA-C-O 121.024 0.44 . . . . 0.0 109.85 174.839 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 . . . . . 0 N--CA 1.451 -0.407 0 CA-C-O 118.717 -0.659 . . . . 0.0 110.15 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 69.5 mt -60.61 -47.83 91.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-N 119.263 0.938 . . . . 0.0 109.597 176.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.8 t -57.05 -51.77 64.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 123.649 0.78 . . . . 0.0 109.675 176.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -55.6 -46.5 77.3 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.113 0.415 . . . . 0.0 110.954 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 56.8 tp -56.72 -56.86 16.12 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 123.956 0.903 . . . . 0.0 109.749 177.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 16.1 tpt -54.53 -50.36 68.07 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 122.305 0.242 . . . . 0.0 110.384 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -52.89 -54.89 28.08 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.722 0.809 . . . . 0.0 110.047 178.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -53.5 -61.31 2.38 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.345 0.658 . . . . 0.0 110.474 178.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 85.1 mt -49.65 -46.22 49.39 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.166 0.586 . . . . 0.0 110.499 -178.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -56.39 -23.39 37.62 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 -175.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -58.77 -29.09 66.52 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 120.197 1.362 . . . . 0.0 111.536 175.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -66.0 -29.3 69.66 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.027 0.531 . . . . 0.0 111.89 173.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.9 ttpp 94.29 118.37 0.02 OUTLIER 'General case' 0 C--O 1.234 0.286 0 C-N-CA 129.197 2.999 . . . . 0.0 104.741 -166.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -76.2 55.9 0.99 Allowed 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.819 1.248 . . . . 0.0 112.807 -169.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -111.66 -76.13 0.6 Allowed 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.472 1.109 . . . . 0.0 108.545 172.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -115.89 94.2 4.57 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 125.803 1.641 . . . . 0.0 107.755 175.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.9 t -94.41 138.72 19.98 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.107 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 177.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -91.57 155.43 18.38 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.643 -0.661 . . . . 0.0 111.458 -168.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -42.04 -45.81 4.01 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 126.006 1.722 . . . . 0.0 111.061 173.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -52.25 -38.79 59.14 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 119.331 -0.366 . . . . 0.0 110.903 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -68.25 -43.94 76.76 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 119.181 0.901 . . . . 0.0 110.301 -178.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -51.99 -55.93 17.41 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 173.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.1 tp -70.16 -36.21 66.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 119.818 -0.753 . . . . 0.0 111.493 -174.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 86.6 m -62.31 -39.46 93.1 Favored 'General case' 0 C--O 1.226 -0.169 0 O-C-N 121.128 -0.983 . . . . 0.0 109.001 176.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -61.51 -39.67 91.85 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 118.16 0.436 . . . . 0.0 110.598 171.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 tt -55.33 -49.84 71.17 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 174.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -49.74 -55.62 13.76 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 123.989 0.804 . . . . 0.0 112.132 172.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.81 -42.23 83.81 Favored 'General case' 0 N--CA 1.457 -0.1 0 C-N-CA 124.546 1.138 . . . . 0.0 111.68 -177.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 53.4 tp -67.87 -53.41 26.94 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 177.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.17 -47.75 71.67 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.233 1.013 . . . . 0.0 112.028 -177.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -8.61 4.39 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 -169.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.2 pp -57.81 -38.73 67.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-N 119.154 0.888 . . . . 0.0 109.672 168.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 61.19 -58.52 0.1 Allowed 'General case' 0 C--N 1.343 0.312 0 C-N-CA 127.956 2.502 . . . . 0.0 115.65 174.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -9.97 103.39 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 128.779 2.831 . . . . 0.0 113.781 178.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 72.41 -43.24 0.56 Allowed 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 126.002 1.721 . . . . 0.0 113.297 173.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.77 -52.71 59.36 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.998 0.817 . . . . 0.0 109.549 173.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.5 tp . . . . . 0 CA--C 1.54 0.583 0 C-N-CA 123.835 0.854 . . . . 0.0 110.34 173.718 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 30.7 t . . . . . 0 N--CA 1.449 -0.519 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -50.18 -27.39 17.27 Favored 'Trans proline' 0 N--CA 1.451 -1.023 0 C-N-CA 122.471 2.114 . . . . 0.0 111.57 167.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 39.6 tp -59.2 -54.37 47.67 Favored 'General case' 0 C--N 1.342 0.258 0 CA-C-N 118.536 0.607 . . . . 0.0 110.428 173.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -67.02 -35.78 80.67 Favored 'General case' 0 C--O 1.23 0.074 0 O-C-N 121.569 -0.707 . . . . 0.0 110.689 -178.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -55.54 -48.05 75.35 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 171.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.93 -47.48 86.24 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.343 0.657 . . . . 0.0 110.244 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 96.4 mt -56.83 -49.31 79.15 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.78 -53.43 36.34 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 176.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 57.4 tp -52.52 -52.33 55.16 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.335 0.654 . . . . 0.0 110.22 177.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 35.3 mt -58.01 -49.27 77.42 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 124.008 0.923 . . . . 0.0 111.077 -178.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 10.7 mm -52.16 -57.2 4.15 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 175.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.88 -59.48 10.52 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.671 -0.571 . . . . 0.0 111.671 -177.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 14.6 tt -64.23 -35.55 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 O-C-N 121.758 -0.848 . . . . 0.0 110.817 -175.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -64.62 -45.97 84.58 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 118.955 0.798 . . . . 0.0 110.169 177.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -54.8 -46.82 74.53 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 118.429 0.559 . . . . 0.0 110.17 173.148 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -63.41 -50.87 68.13 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 121.466 0.65 . . . . 0.0 109.801 -174.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -54.36 -48.34 71.58 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 125.821 1.648 . . . . 0.0 109.77 176.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 10.9 m -73.14 8.94 1.38 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.056 0.943 . . . . 0.0 113.462 174.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.22 -33.54 52.31 Favored Glycine 0 CA--C 1.529 0.947 0 CA-C-N 120.105 1.32 . . . . 0.0 113.036 -173.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -37.42 63.64 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.997 0.919 . . . . 0.0 110.896 173.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -101.79 25.58 8.43 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.527 1.531 . . . . 0.0 110.51 174.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 55.09 -111.59 2.35 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 124.333 0.968 . . . . 0.0 111.709 -175.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -114.13 14.71 18.3 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.009 1.323 . . . . 0.0 110.937 177.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -66.14 125.59 26.01 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 173.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -76.33 53.31 0.82 Allowed 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.937 0.718 . . . . 0.0 112.937 -169.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 9.8 t -146.51 142.76 28.39 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 123.877 0.871 . . . . 0.0 109.021 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 44.0 mt -94.92 128.41 41.68 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 171.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 23.2 t -91.57 170.25 10.09 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 178.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -50.12 -41.44 48.65 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.229 0.611 . . . . 0.0 109.371 174.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -44.08 -51.69 7.74 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.727 1.611 . . . . 0.0 111.163 172.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -65.1 -49.16 71.08 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.232 0.613 . . . . 0.0 109.512 -175.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.88 -49.74 76.65 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 117.929 0.332 . . . . 0.0 110.11 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -54.76 -51.39 65.84 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.218 0.207 . . . . 0.0 110.571 176.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -57.08 -45.1 83.58 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 122.233 -0.292 . . . . 0.0 111.631 177.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 44.8 tp -58.92 -50.42 74.09 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 118.766 0.712 . . . . 0.0 109.82 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 81.0 mt -57.06 -48.41 81.94 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 178.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -55.02 -54.43 43.12 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.904 0.881 . . . . 0.0 110.956 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt . . . . . 0 CA--C 1.53 0.186 0 C-N-CA 123.348 0.659 . . . . 0.0 110.814 -178.865 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 23.4 tp . . . . . 0 CA--C 1.53 0.202 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -53.28 -53.92 43.83 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.913 0.885 . . . . 0.0 109.734 175.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -53.87 -50.86 65.35 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.368 0.667 . . . . 0.0 110.974 178.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -57.09 -41.44 78.86 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.255 0.622 . . . . 0.0 111.531 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 tt -66.99 -63.71 1.0 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 121.401 0.62 . . . . 0.0 109.761 176.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -74.36 67.18 1.4 Allowed 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 125.823 1.649 . . . . 0.0 110.459 -178.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.07 -50.0 70.26 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 173.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -74.87 61.92 1.06 Allowed 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.621 -0.674 . . . . 0.0 110.663 169.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 39.9 pttt -72.45 68.84 0.81 Allowed 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.152 0.981 . . . . 0.0 109.505 174.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -148.35 -56.05 0.21 Allowed 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.967 1.307 . . . . 0.0 109.352 -176.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -123.34 -91.32 0.55 Allowed 'General case' 0 N--CA 1.457 -0.098 0 C-N-CA 123.573 0.749 . . . . 0.0 110.558 -178.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -132.9 145.08 50.61 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 126.392 1.877 . . . . 0.0 106.158 -175.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 8.2 p -95.51 135.01 30.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 -177.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -92.2 152.16 20.0 Favored 'General case' 0 C--N 1.333 -0.119 0 O-C-N 121.795 -0.565 . . . . 0.0 110.191 -170.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -47.42 -42.77 22.88 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.319 0.648 . . . . 0.0 111.899 174.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 16.7 tp60 -59.05 -37.76 77.77 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.18 -0.95 . . . . 0.0 110.996 177.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -68.04 -40.53 82.84 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 118.86 -0.59 . . . . 0.0 109.688 174.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -56.71 -48.41 77.76 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.691 0.678 . . . . 0.0 109.858 176.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 22.0 mm -56.19 -53.46 39.12 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 123.112 0.565 . . . . 0.0 110.49 175.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 23.8 m -56.36 -46.89 79.81 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.999 -0.438 . . . . 0.0 110.564 -178.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -53.14 -48.99 67.47 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.563 1.145 . . . . 0.0 110.517 173.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 3.1 tt -57.42 -47.7 81.05 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 -178.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -51.02 -60.86 6.66 Favored Glycine 0 C--O 1.223 -0.558 0 CA-C-O 119.328 -0.706 . . . . 0.0 111.983 173.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.21 -51.75 66.94 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.119 0.96 . . . . 0.0 111.425 -177.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -52.52 -50.93 61.85 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 125.256 1.422 . . . . 0.0 109.77 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.08 -49.68 66.75 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 121.952 -0.468 . . . . 0.0 111.612 178.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 28.0 ttt -49.22 -39.13 28.77 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.991 1.717 . . . . 0.0 113.678 -172.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 17.9 pt -63.82 -18.73 22.96 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 119.06 0.845 . . . . 0.0 112.61 178.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 58.02 -137.29 0.91 Allowed 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 125.646 1.578 . . . . 0.0 110.655 178.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . 0.276 4.5 p30 41.25 -124.62 0.53 Allowed 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.898 1.279 . . . . 0.0 111.469 -177.008 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -48.83 -34.33 12.27 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 119.676 1.126 . . . . 0.0 113.044 -178.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.36 -32.63 68.74 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 118.49 0.586 . . . . 0.0 111.55 -175.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 25.8 mt . . . . . 0 CA--C 1.531 0.234 0 CA-C-O 119.618 -0.229 . . . . 0.0 111.609 -179.37 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.415 0 CA-C-O 118.223 -0.894 . . . . 0.0 109.187 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -33.39 -62.56 0.17 Allowed 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 124.883 3.722 . . . . 0.0 116.498 -169.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -57.84 -40.74 80.79 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.389 -0.819 . . . . 0.0 112.436 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -68.04 -42.9 79.84 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 121.93 -0.481 . . . . 0.0 109.928 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -56.85 -43.44 81.13 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 122.824 0.449 . . . . 0.0 109.964 173.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.31 -52.58 64.11 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 122.761 0.425 . . . . 0.0 110.224 -178.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.7 mt -50.03 -55.18 5.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 N-CA-C 108.706 -0.849 . . . . 0.0 108.706 172.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.97 -51.97 10.39 Favored Glycine 0 CA--C 1.524 0.639 0 C-N-CA 125.921 1.724 . . . . 0.0 112.212 178.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 30.3 mt -63.9 -49.59 72.08 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 117.838 0.819 . . . . 0.0 110.338 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mp -55.5 -52.98 61.86 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 119.449 -0.31 . . . . 0.0 111.336 -178.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.8 pt -67.32 -40.3 84.54 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 177.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -43.18 -56.89 4.45 Favored Glycine 0 C--N 1.335 0.502 0 C-N-CA 125.733 1.635 . . . . 0.0 110.884 176.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.1 tt -74.85 -53.17 17.16 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 117.921 0.86 . . . . 0.0 111.52 175.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -54.51 -45.48 73.33 Favored 'General case' 0 C--N 1.34 0.176 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -168.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -61.77 -31.86 72.09 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -173.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -57.25 -41.98 80.63 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-O 121.547 0.689 . . . . 0.0 109.457 -178.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -81.13 -65.6 0.99 Allowed 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.222 175.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 84.1 p -63.33 -23.11 67.27 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 -168.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -51.7 -32.33 32.31 Favored Glycine 0 CA--C 1.529 0.924 0 C-N-CA 123.879 0.752 . . . . 0.0 111.767 173.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -54.37 -30.9 53.41 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 117.513 0.656 . . . . 0.0 111.322 174.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -123.57 48.32 1.88 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.539 1.536 . . . . 0.0 108.515 170.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.81 66.38 0.83 Allowed Glycine 0 CA--C 1.527 0.831 0 C-N-CA 126.164 1.84 . . . . 0.0 111.807 -175.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -167.7 -59.62 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 127.908 2.483 . . . . 0.0 105.298 -177.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -63.62 -40.62 97.34 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.791 169.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 77.7 m80 58.94 61.43 2.15 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 122.372 1.082 . . . . 0.0 109.962 -177.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.6 p -131.03 170.25 14.75 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 106.123 -1.806 . . . . 0.0 106.123 176.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.5 tt -125.64 116.48 21.77 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.4 m -97.49 164.95 12.23 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.148 0.979 . . . . 0.0 112.285 -169.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -44.97 -47.77 11.42 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 125.34 1.456 . . . . 0.0 113.319 -170.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -55.3 -59.73 4.39 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.114 0.566 . . . . 0.0 109.831 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -50.46 -47.48 56.95 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.039 0.535 . . . . 0.0 110.321 176.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 48.8 tp -57.68 -55.67 31.88 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 119.319 -0.372 . . . . 0.0 110.875 -178.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.26 -40.38 90.16 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 119.123 0.874 . . . . 0.0 111.034 -178.577 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.6 -51.25 70.26 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.595 -0.691 . . . . 0.0 110.434 175.47 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 61.6 tp -54.28 -54.86 34.42 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.143 0.577 . . . . 0.0 110.138 176.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 59.6 mt -51.32 -53.07 16.87 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 C-N-CA 123.51 0.724 . . . . 0.0 109.997 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -52.74 -55.02 25.76 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 119.444 -0.312 . . . . 0.0 110.752 178.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -30.2 67.56 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -175.287 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 . . . . . 0 CA--C 1.533 0.3 0 CA-C-N 119.027 0.831 . . . . 0.0 110.566 169.923 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 . . . . . 0 CA--C 1.533 0.316 0 CA-C-O 118.827 -0.606 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 78.3 mt -56.31 -55.44 18.88 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 119.283 0.947 . . . . 0.0 110.536 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.2 m -63.78 -38.77 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-O 118.977 -0.535 . . . . 0.0 110.934 -177.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -56.49 -48.49 77.05 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 118.774 0.716 . . . . 0.0 109.87 173.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.4 tt -58.21 -54.25 49.1 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 67.2 mtm -56.24 -47.03 79.29 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 122.08 -0.387 . . . . 0.0 111.25 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -56.37 -53.15 60.71 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.505 0.722 . . . . 0.0 110.415 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -56.53 -50.18 72.61 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 121.047 0.451 . . . . 0.0 110.752 177.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 45.3 tp -55.93 -42.09 75.61 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.001 0.921 . . . . 0.0 110.731 -178.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -65.72 -55.51 16.97 Favored 'General case' 0 N--CA 1.456 -0.168 0 O-C-N 122.114 -0.366 . . . . 0.0 110.039 173.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.4 -38.15 18.81 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 125.096 1.359 . . . . 0.0 111.405 -177.291 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -47.76 -37.72 13.98 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.517 0.727 . . . . 0.0 111.812 176.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.34 44.28 2.98 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.236 1.414 . . . . 0.0 109.112 173.083 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -23.44 82.35 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 128.222 2.609 . . . . 0.0 115.592 -168.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.0 -60.14 0.01 OUTLIER 'General case' 0 C--N 1.339 0.11 0 C-N-CA 123.443 0.697 . . . . 0.0 111.123 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -145.93 170.23 17.02 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.922 1.289 . . . . 0.0 110.094 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 30.5 m -119.93 139.89 45.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 106.442 -1.688 . . . . 0.0 106.442 165.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -92.48 151.06 20.4 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -177.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -46.6 -44.13 17.89 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 177.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -59.12 -38.78 80.41 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 120.856 -1.153 . . . . 0.0 110.614 177.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -64.5 -47.47 78.79 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 176.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -49.7 -49.94 45.73 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.709 0.804 . . . . 0.0 110.349 173.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 16.4 mm -57.01 -53.82 38.07 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 O-C-N 121.589 -0.694 . . . . 0.0 111.146 176.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.1 p -63.29 -25.36 68.28 Favored 'General case' 0 C--O 1.223 -0.31 0 O-C-N 120.894 -1.129 . . . . 0.0 111.782 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.54 -45.61 82.72 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.116 0.966 . . . . 0.0 109.856 172.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.4 tp -54.09 -48.51 70.6 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 170.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -46.31 -60.0 4.9 Favored Glycine 0 CA--C 1.532 1.106 0 N-CA-C 111.757 -0.537 . . . . 0.0 111.757 172.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.08 -45.31 79.39 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 125.122 1.369 . . . . 0.0 111.418 -175.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 96.3 mt -58.6 -53.24 60.58 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 174.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.52 -38.79 72.3 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -178.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 22.8 mmt -54.41 -18.04 3.74 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.063 0.945 . . . . 0.0 113.209 177.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 96.2 mt -55.85 -33.92 35.9 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-N 119.432 1.015 . . . . 0.0 110.316 171.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 48.56 77.53 0.1 Allowed 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 125.185 1.394 . . . . 0.0 113.319 171.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -33.17 107.61 0.05 OUTLIER 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 126.101 1.76 . . . . 0.0 112.219 169.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 56.07 43.23 27.34 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.599 0.76 . . . . 0.0 112.392 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 55.42 41.68 30.76 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.538 0.735 . . . . 0.0 109.982 -171.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 18.4 tp . . . . . 0 CA--C 1.536 0.41 0 C-N-CA 125.694 1.598 . . . . 0.0 110.839 -175.549 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.449 -0.506 0 CA-C-O 118.148 -0.929 . . . . 0.0 113.321 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -58.01 -51.73 7.25 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 121.88 1.72 . . . . 0.0 111.25 178.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 94.5 mt -57.62 -49.36 76.68 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 178.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -58.09 -51.01 71.47 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -55.34 -43.85 75.38 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.7 -53.15 44.86 Favored 'General case' 0 N--CA 1.456 -0.154 0 O-C-N 122.289 -0.257 . . . . 0.0 110.481 -175.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 66.3 mt -55.86 -52.65 46.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 123.936 0.895 . . . . 0.0 108.806 178.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.53 -51.72 46.21 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 6.4 tt -56.17 -55.69 30.03 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.958 0.903 . . . . 0.0 110.228 178.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 60.9 mt -57.25 -51.67 68.4 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 123.453 0.701 . . . . 0.0 110.586 -177.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 10.0 mm -51.57 -48.95 35.31 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.187 0 C-N-CA 123.572 0.749 . . . . 0.0 109.537 173.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -52.51 -66.64 2.53 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 123.835 0.731 . . . . 0.0 111.542 177.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 34.1 pt -60.44 -39.22 80.43 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.103 0 O-C-N 121.498 -1.001 . . . . 0.0 110.959 -175.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -67.67 -36.23 80.33 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 121.908 -0.495 . . . . 0.0 111.346 -179.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -60.16 -46.68 88.86 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 169.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -58.44 -44.09 89.02 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 118.667 0.667 . . . . 0.0 110.246 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -62.97 -78.12 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.784 174.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 88.8 p -67.45 -24.16 65.6 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 -168.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -46.94 -43.86 17.58 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 124.373 0.987 . . . . 0.0 112.987 -173.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -55.69 -29.62 59.69 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -113.33 18.19 17.98 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.511 1.524 . . . . 0.0 111.206 177.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 20.64 -91.38 0.01 OUTLIER Glycine 0 CA--C 1.529 0.91 0 C-N-CA 128.938 3.161 . . . . 0.0 115.277 -178.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -44.75 -42.22 7.54 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 125.92 1.688 . . . . 0.0 112.167 -178.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -71.0 80.37 0.66 Allowed 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 175.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -69.43 64.64 0.17 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.134 1.374 . . . . 0.0 109.71 174.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 8.4 p -142.51 152.43 42.66 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 126.042 1.737 . . . . 0.0 106.853 -173.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 3.7 tt -93.81 104.82 16.88 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 105.303 -2.11 . . . . 0.0 105.303 172.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 89.1 p -94.27 158.54 15.54 Favored 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 123.417 0.687 . . . . 0.0 111.161 -172.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 15.9 pttm -29.03 -53.72 0.12 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.938 2.095 . . . . 0.0 114.861 175.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.07 -49.92 74.37 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.769 0.795 . . . . 0.0 110.37 178.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -70.5 -33.35 71.12 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.229 1.412 . . . . 0.0 109.967 -176.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 tt -61.48 -54.1 47.73 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 125.314 1.446 . . . . 0.0 108.394 174.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -53.29 -51.24 62.94 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 177.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -52.23 -52.81 50.22 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 122.74 0.416 . . . . 0.0 111.18 175.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.8 tt -52.26 -57.9 8.29 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 119.153 -0.451 . . . . 0.0 109.976 179.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 38.0 pt -61.78 -44.87 99.43 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 119.761 -0.775 . . . . 0.0 111.175 -174.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -67.97 -36.59 80.3 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 118.864 0.757 . . . . 0.0 111.942 -177.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt . . . . . 0 CA--C 1.531 0.228 0 CA-C-N 118.747 0.703 . . . . 0.0 110.798 176.73 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 11.8 tp . . . . . 0 CA--C 1.534 0.346 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 12.8 tmm? -55.8 -52.49 63.82 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 174.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -56.72 -43.26 80.42 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 122.741 0.416 . . . . 0.0 111.303 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -59.8 -48.47 81.55 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 124.364 1.066 . . . . 0.0 110.068 176.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 57.3 tp -57.0 -44.69 83.0 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.338 0.517 . . . . 0.0 110.332 175.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -67.93 -9.84 48.47 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.73 0.812 . . . . 0.0 112.824 173.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 46.53 30.9 1.19 Allowed 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 126.284 1.834 . . . . 0.0 111.162 -169.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 53.88 26.74 6.46 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.591 1.156 . . . . 0.0 111.866 -177.415 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 35.5 mtmm -76.35 -28.1 56.7 Favored 'General case' 0 C--O 1.227 -0.099 0 O-C-N 120.813 -1.179 . . . . 0.0 111.507 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 32.2 t70 50.78 59.39 4.63 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 125.355 1.462 . . . . 0.0 110.023 -171.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -118.8 -109.24 0.36 Allowed 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.671 0.788 . . . . 0.0 109.405 177.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -131.17 119.39 21.81 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 125.516 1.526 . . . . 0.0 108.323 -174.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 86.8 t -93.95 133.65 34.27 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.173 0 N-CA-C 105.663 -1.977 . . . . 0.0 105.663 169.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -89.17 149.6 23.07 Favored 'General case' 0 N--CA 1.462 0.151 0 O-C-N 120.853 -1.154 . . . . 0.0 109.07 -169.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -42.65 -49.59 5.53 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 113.696 0.999 . . . . 0.0 113.696 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -59.75 -38.49 81.92 Favored 'General case' 0 C--O 1.225 -0.22 0 O-C-N 121.195 -0.94 . . . . 0.0 110.223 179.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -66.26 -37.56 85.78 Favored 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 121.638 -0.664 . . . . 0.0 110.237 177.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -57.54 -50.56 72.69 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.523 0.601 . . . . 0.0 110.29 172.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 26.0 mm -57.47 -51.78 65.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 O-C-N 121.721 -0.612 . . . . 0.0 111.134 176.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 9.8 m -58.84 -37.16 75.83 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.764 -0.585 . . . . 0.0 110.169 -178.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -61.57 -48.03 82.84 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.89 0.876 . . . . 0.0 110.656 174.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 tp -52.57 -48.62 66.07 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 173.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.86 -56.34 14.35 Favored Glycine 0 CA--C 1.529 0.914 0 N-CA-C 112.051 -0.42 . . . . 0.0 112.051 173.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.39 -45.23 76.65 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.361 1.064 . . . . 0.0 111.303 -177.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 81.8 mt -60.17 -56.7 18.34 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 122.173 -0.329 . . . . 0.0 110.124 175.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.15 -36.67 61.11 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.798 -0.564 . . . . 0.0 112.112 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 24.2 ttt -55.72 -18.81 9.01 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.471 1.109 . . . . 0.0 113.535 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.7 pp -61.97 -23.48 31.62 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 CA-C-N 119.72 1.145 . . . . 0.0 111.966 173.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 50.28 61.35 3.24 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 124.968 1.307 . . . . 0.0 113.208 173.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -42.59 113.09 0.42 Allowed 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.286 1.034 . . . . 0.0 110.145 170.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 54.49 40.33 31.73 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.645 0.778 . . . . 0.0 111.354 177.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 51.9 35.47 15.8 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.014 0.926 . . . . 0.0 110.905 -175.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 65.2 mt . . . . . 0 N--CA 1.45 -0.432 0 C-N-CA 124.507 1.123 . . . . 0.0 111.582 -171.521 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.539 0.557 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -79.57 60.06 7.66 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 122.295 1.997 . . . . 0.0 110.301 177.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.4 mt -41.93 -58.52 2.02 Favored 'General case' 0 C--N 1.342 0.243 0 C-N-CA 124.685 1.194 . . . . 0.0 111.013 -176.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -57.91 -47.46 82.77 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 123.174 0.59 . . . . 0.0 111.546 -172.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -60.4 -45.31 94.02 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.67 -61.24 1.98 Allowed 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.433 0.635 . . . . 0.0 110.149 -172.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.6 tt -66.73 -40.21 85.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.602 -175.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.77 -50.63 65.4 Favored Glycine 0 C--N 1.339 0.711 0 N-CA-C 110.515 -1.034 . . . . 0.0 110.515 176.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.9 tp -57.47 -53.72 54.92 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 118.131 0.966 . . . . 0.0 109.896 176.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.8 tp -55.2 -50.61 68.95 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 120.765 0.317 . . . . 0.0 111.484 -176.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 84.6 mt -61.31 -42.3 93.06 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.274 0 C-N-CA 123.269 0.628 . . . . 0.0 109.603 176.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.64 -54.74 28.77 Favored Glycine 0 CA--C 1.528 0.881 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 176.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 32.5 mm -60.26 -36.76 70.56 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 O-C-N 122.127 -0.631 . . . . 0.0 110.635 178.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -60.36 -55.62 31.38 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.983 0.811 . . . . 0.0 110.24 173.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -61.94 -24.98 67.33 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 124.668 1.187 . . . . 0.0 111.334 -177.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -53.54 -46.5 70.22 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 118.838 0.745 . . . . 0.0 109.265 170.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -78.36 -63.87 1.3 Allowed 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 177.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.4 m -54.91 -24.16 22.26 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -174.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.63 -30.34 13.54 Favored Glycine 0 CA--C 1.526 0.779 0 C-N-CA 125.333 1.444 . . . . 0.0 113.642 172.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -75.02 58.99 0.9 Allowed 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.402 1.601 . . . . 0.0 110.696 174.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 52.27 47.94 23.69 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.066 1.746 . . . . 0.0 112.841 176.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.56 -42.45 97.41 Favored Glycine 0 CA--C 1.532 1.096 0 N-CA-C 109.799 -1.32 . . . . 0.0 109.799 169.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.0 t70 68.23 -67.68 0.19 Allowed 'General case' 0 C--N 1.339 0.125 0 C-N-CA 127.444 2.298 . . . . 0.0 110.883 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -71.15 143.98 50.37 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 169.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -67.59 72.27 0.14 Allowed 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 122.608 1.194 . . . . 0.0 110.048 -178.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 65.6 p -146.74 171.2 15.51 Favored 'General case' 0 N--CA 1.435 -1.192 0 C-N-CA 126.705 2.002 . . . . 0.0 107.483 -169.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.7 tt -121.1 111.08 17.0 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 105.315 -2.106 . . . . 0.0 105.315 172.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.9 t -93.93 160.8 14.57 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.92 1.288 . . . . 0.0 111.469 -168.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -24.16 -64.47 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 127.855 2.462 . . . . 0.0 113.464 175.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.4 pttt -46.73 -51.71 15.57 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.248 1.819 . . . . 0.0 112.155 177.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -74.09 -34.58 64.03 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 124.938 1.295 . . . . 0.0 109.648 -175.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 36.7 tp -64.55 -46.32 83.3 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 176.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -56.3 -48.47 76.59 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.035 0.534 . . . . 0.0 110.67 171.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -51.45 -55.87 16.39 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.466 0.575 . . . . 0.0 110.896 175.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 58.7 tp -54.52 -52.09 63.1 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.399 0.68 . . . . 0.0 110.372 179.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 57.7 mt -53.62 -47.31 61.19 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 C-N-CA 123.513 0.725 . . . . 0.0 110.179 178.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -56.51 -51.66 67.66 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 178.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -55.1 -52.45 63.19 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 118.468 0.576 . . . . 0.0 111.676 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 . . . . . 0 CA--C 1.535 0.394 0 C-N-CA 122.691 0.396 . . . . 0.0 111.668 178.04 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 . . . . . 0 CA--C 1.536 0.42 0 CA-C-O 117.701 -1.143 . . . . 0.0 112.385 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 43.0 mm -62.46 -43.65 98.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 121.356 1.889 . . . . 0.0 110.281 173.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 70.4 t -61.34 -48.69 87.75 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 O-C-N 121.588 -0.695 . . . . 0.0 109.64 177.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -55.63 -48.26 75.24 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 122.096 -0.378 . . . . 0.0 110.376 176.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 69.7 tp -57.99 -50.06 74.69 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.458 0.703 . . . . 0.0 109.857 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 58.7 tpp -52.15 -54.27 32.74 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.528 0.731 . . . . 0.0 109.158 176.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -53.56 -51.94 61.3 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.794 0.438 . . . . 0.0 111.468 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -61.71 -46.53 89.27 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.288 0.635 . . . . 0.0 112.501 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 60.4 tp -79.92 -45.75 17.99 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.997 1.319 . . . . 0.0 112.694 -168.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -73.36 67.82 1.04 Allowed 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.14 0.976 . . . . 0.0 112.63 -167.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -79.69 54.49 1.82 Allowed 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.162 0.985 . . . . 0.0 109.523 173.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -166.17 -96.44 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 125.354 1.461 . . . . 0.0 107.931 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -169.91 157.44 6.71 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 126.683 1.993 . . . . 0.0 105.685 171.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -76.07 70.59 2.77 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.124 0.488 . . . . 0.0 110.795 -171.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -130.62 -58.02 1.04 Allowed 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 126.453 1.901 . . . . 0.0 108.694 174.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -145.07 151.71 38.96 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 106.568 -1.642 . . . . 0.0 106.568 172.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.8 m -116.91 150.21 18.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 169.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -91.9 160.12 15.43 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 121.52 -0.737 . . . . 0.0 110.168 -169.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -42.7 -42.76 3.62 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 169.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.0 tm0? -50.43 -45.95 56.18 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.117 -0.989 . . . . 0.0 111.165 172.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -68.83 -35.88 77.51 Favored 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 121.38 -0.825 . . . . 0.0 109.789 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -59.72 -45.64 91.55 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.1 0.864 . . . . 0.0 111.215 170.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 29.9 mm -56.61 -46.04 82.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 O-C-N 120.754 -1.216 . . . . 0.0 109.737 173.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.3 m -61.24 -36.73 80.77 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.664 -0.647 . . . . 0.0 110.668 177.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -57.26 -50.53 72.6 Favored 'General case' 0 C--N 1.339 0.15 0 CA-C-N 119.145 0.884 . . . . 0.0 109.75 173.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.1 tp -51.32 -52.17 47.8 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 176.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -52.95 -55.67 22.55 Favored Glycine 0 CA--C 1.533 1.169 0 N-CA-C 112.428 -0.269 . . . . 0.0 112.428 176.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.42 -52.74 60.8 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.001 1.32 . . . . 0.0 110.827 -175.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.51 -48.47 80.91 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 177.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.36 -32.75 26.85 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-O 118.046 -0.978 . . . . 0.0 113.134 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.2 mmm -48.48 -22.45 0.73 Allowed 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 175.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 15.7 tt -47.81 -41.57 8.9 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 CA-C-N 119.397 0.999 . . . . 0.0 111.455 171.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 21.0 m-30 57.76 -70.8 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 127.346 2.258 . . . . 0.0 115.188 174.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -22.9 -63.74 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 128.12 2.568 . . . . 0.0 115.233 -168.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 34.9 mp0 -71.39 -29.83 65.4 Favored 'General case' 0 C--N 1.333 -0.112 0 O-C-N 121.83 -0.543 . . . . 0.0 112.306 -172.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -77.63 -58.48 3.24 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 174.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.6 mt . . . . . 0 CA--C 1.535 0.388 0 C-N-CA 124.275 1.03 . . . . 0.0 110.894 178.128 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.538 0.517 0 N-CA-C 110.82 -0.066 . . . . 0.0 110.82 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -52.34 -51.64 10.68 Favored 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 123.966 3.111 . . . . 0.0 113.515 -168.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 81.4 mt -54.72 -58.42 7.59 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 120.792 0.329 . . . . 0.0 110.491 -177.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -67.06 -33.96 76.63 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 119.033 -0.508 . . . . 0.0 111.706 -176.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.18 -46.17 91.59 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.699 0.681 . . . . 0.0 109.405 173.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.37 -49.51 69.03 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 123.072 0.549 . . . . 0.0 110.569 -176.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 85.7 mt -54.55 -52.15 43.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 173.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.31 -52.26 13.77 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 124.571 1.082 . . . . 0.0 111.403 176.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 6.1 tt -57.42 -64.95 0.72 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.444 0.698 . . . . 0.0 109.934 177.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 30.1 tp -57.37 -54.23 49.22 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 121.454 0.645 . . . . 0.0 110.733 -172.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 41.8 mm -64.6 -38.14 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 -178.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.1 -43.12 73.22 Favored Glycine 0 CA--C 1.528 0.879 0 CA-C-N 118.816 0.734 . . . . 0.0 111.981 173.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 32.5 mm -64.75 -59.09 4.69 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-N 117.963 0.881 . . . . 0.0 109.343 173.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -45.48 -51.98 10.89 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.361 1.064 . . . . 0.0 111.497 -177.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -41.2 -39.78 1.41 Allowed 'General case' 0 C--N 1.335 -0.029 0 C-N-CA 129.058 2.943 . . . . 0.0 113.227 178.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -60.7 -44.7 96.23 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 118.199 0.454 . . . . 0.0 110.123 -174.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -82.9 -72.61 0.44 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 122.207 1.003 . . . . 0.0 108.66 172.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 73.1 m -80.92 64.6 5.74 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 125.267 1.427 . . . . 0.0 110.4 -174.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 157.48 50.9 0.01 OUTLIER Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 176.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.12 70.71 1.1 Allowed 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 117.621 0.711 . . . . 0.0 110.416 179.193 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 67.91 -63.71 0.31 Allowed 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 126.467 1.907 . . . . 0.0 109.756 -170.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.02 131.09 48.33 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 108.443 -1.863 . . . . 0.0 108.443 169.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -76.03 60.62 1.43 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.078 0.951 . . . . 0.0 112.097 -171.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -71.05 73.08 0.61 Allowed 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 172.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 41.5 p-80 -76.19 47.19 0.44 Allowed 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.974 0.893 . . . . 0.0 110.776 177.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 34.5 p -145.7 152.49 39.69 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 105.255 -2.128 . . . . 0.0 105.255 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 19.2 tp -122.57 135.96 54.76 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.274 1.03 . . . . 0.0 108.319 -174.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 70.4 p -92.02 155.32 18.19 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 174.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 50.3 pttt -54.79 -33.87 61.96 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 122.418 -0.176 . . . . 0.0 110.949 171.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -58.13 -60.56 3.56 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.55 0.74 . . . . 0.0 110.215 172.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -53.78 -45.57 70.74 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 121.838 -0.539 . . . . 0.0 110.853 178.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 41.9 tp -58.57 -53.8 54.2 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.557 0.743 . . . . 0.0 110.676 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -45.91 91.96 Favored 'General case' 0 C--O 1.226 -0.134 0 CA-C-N 118.938 0.79 . . . . 0.0 110.696 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.8 -46.51 74.51 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.875 0.762 . . . . 0.0 111.048 175.368 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 55.1 tp -59.31 -51.49 69.72 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 121.848 -0.532 . . . . 0.0 110.621 177.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 78.3 mt -62.76 -41.31 91.93 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-N 118.971 0.805 . . . . 0.0 109.858 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -55.09 -47.3 75.12 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 121.333 -0.854 . . . . 0.0 110.025 174.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? . . . . . 0 CA--C 1.53 0.2 0 O-C-N 121.824 -0.548 . . . . 0.0 110.529 177.183 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 65.5 tp . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 47.0 mtm -54.37 -54.28 42.68 Favored 'General case' 0 C--N 1.339 0.125 0 CA-C-N 117.99 0.359 . . . . 0.0 110.191 177.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -53.98 -53.21 56.06 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 122.249 0.22 . . . . 0.0 110.998 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -59.88 -44.25 94.3 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.175 0.99 . . . . 0.0 111.689 -176.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -72.95 -59.19 2.82 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 -176.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -81.97 56.14 3.02 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.174 0.59 . . . . 0.0 110.864 -170.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -56.12 -38.45 70.8 Favored 'General case' 0 N--CA 1.462 0.149 0 O-C-N 122.033 -0.417 . . . . 0.0 111.298 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 25.0 p-10 -63.74 -51.54 64.47 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 122.99 0.516 . . . . 0.0 111.063 -178.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -152.12 76.72 1.18 Allowed 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.893 0.877 . . . . 0.0 110.583 -173.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -73.59 69.1 1.23 Allowed 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 168.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -149.83 -100.33 0.07 Allowed 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 126.128 1.771 . . . . 0.0 108.173 -171.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -120.23 127.93 52.88 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 127.056 2.142 . . . . 0.0 105.956 171.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 35.9 m -119.77 154.55 22.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 C-N-CA 124.594 1.158 . . . . 0.0 108.896 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -91.83 158.74 16.16 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 122.952 0.501 . . . . 0.0 109.953 -171.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -39.05 -47.12 1.47 Allowed 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 170.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -57.13 -39.09 74.46 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.055 -1.028 . . . . 0.0 111.473 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -70.75 -40.94 72.39 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 121.553 -0.717 . . . . 0.0 109.785 177.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -54.16 -50.74 66.3 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.18 0.446 . . . . 0.0 110.404 172.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 10.4 mm -53.32 -50.95 44.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 O-C-N 121.897 -0.502 . . . . 0.0 110.334 173.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 30.2 m -58.05 -38.0 75.45 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.73 -0.607 . . . . 0.0 111.02 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -58.97 -47.63 84.44 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.876 0.87 . . . . 0.0 109.531 175.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.37 -49.82 71.31 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 174.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.57 -56.21 9.91 Favored Glycine 0 C--O 1.222 -0.647 0 C-N-CA 124.469 1.033 . . . . 0.0 111.285 177.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.08 -52.54 64.89 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 118.333 1.067 . . . . 0.0 110.724 177.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 58.4 tp -54.14 -37.61 64.57 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.976 0.911 . . . . 0.0 111.615 -177.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.68 -52.87 7.41 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 117.966 0.348 . . . . 0.0 111.306 175.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 52.2 ttm -52.35 -38.45 58.74 Favored 'General case' 0 CA--C 1.528 0.109 0 C-N-CA 125.989 1.715 . . . . 0.0 111.682 -174.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 13.8 tt -54.31 -27.02 16.49 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 177.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -75.35 48.36 0.42 Allowed 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.813 0.845 . . . . 0.0 110.793 175.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.86 150.66 41.23 Favored 'General case' 0 N--CA 1.455 -0.183 0 O-C-N 121.28 -0.888 . . . . 0.0 109.125 178.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 70.86 -59.53 0.53 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.612 1.565 . . . . 0.0 109.725 -169.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.27 -35.69 62.83 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.383 1.073 . . . . 0.0 112.493 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 15.5 mt . . . . . 0 CA--C 1.535 0.392 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 171.969 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.361 58.4 m . . . . . 0 CA--C 1.544 0.737 0 CA-C-O 116.821 -1.561 . . . . 0.0 114.836 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -75.16 60.72 5.63 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 CA-C-N 122.834 2.048 . . . . 0.0 110.588 176.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 mt -45.61 -61.12 1.83 Allowed 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 126.094 1.758 . . . . 0.0 110.504 -172.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -59.97 -44.78 94.24 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 112.33 0.492 . . . . 0.0 112.33 -171.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -62.53 -44.76 95.56 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 177.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.65 -54.51 10.13 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.248 0.546 . . . . 0.0 110.0 -169.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.5 mm -52.31 -52.47 24.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 170.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.79 -51.69 12.65 Favored Glycine 0 CA--C 1.525 0.677 0 C-N-CA 124.304 0.954 . . . . 0.0 112.179 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -59.89 -54.1 50.15 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 117.719 0.76 . . . . 0.0 110.215 178.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -60.53 -53.06 62.02 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.179 0.592 . . . . 0.0 110.992 -173.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mp -53.41 -50.7 47.03 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.263 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 171.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -45.64 -56.87 6.24 Favored Glycine 0 CA--C 1.525 0.681 0 C-N-CA 124.9 1.238 . . . . 0.0 111.916 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.1 tt -64.78 -49.98 77.54 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 CA-C-N 117.875 0.837 . . . . 0.0 110.931 177.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -58.21 -44.07 87.96 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.827 0.739 . . . . 0.0 111.531 -172.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -50.29 -30.05 11.06 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 126.174 1.789 . . . . 0.0 111.447 177.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -60.45 -47.99 83.72 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 119.534 1.061 . . . . 0.0 109.787 175.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -61.33 -49.57 76.46 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.0 m -48.2 -51.15 26.54 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.821 -0.172 . . . . 0.0 110.625 172.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.12 -56.95 9.47 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 125.424 1.488 . . . . 0.0 111.507 177.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -77.92 60.92 2.42 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 118.103 0.951 . . . . 0.0 111.233 174.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 62.88 26.55 15.62 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 126.4 1.88 . . . . 0.0 114.075 169.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.55 48.34 3.42 Favored Glycine 0 CA--C 1.532 1.12 0 CA-C-N 119.197 0.908 . . . . 0.0 111.923 175.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.7 t70 53.76 -75.21 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 128.057 2.543 . . . . 0.0 113.485 -178.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -150.01 -54.67 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 127.296 2.238 . . . . 0.0 106.199 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -151.47 60.39 0.89 Allowed 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.643 173.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.5 p -135.85 170.19 16.39 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 173.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.1 mt -118.91 113.84 21.67 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 126.162 1.785 . . . . 0.0 107.366 176.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.9 m -92.91 165.53 12.84 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 168.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -30.86 -52.59 0.18 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 127.527 2.331 . . . . 0.0 114.13 -171.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -63.7 -50.48 69.0 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.219 0.463 . . . . 0.0 111.257 -177.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -64.1 -43.16 96.19 Favored 'General case' 0 N--CA 1.455 -0.176 0 O-C-N 121.914 -0.491 . . . . 0.0 109.897 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 36.7 tp -58.0 -49.82 75.53 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.7 tmtm? -54.16 -49.39 69.4 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.824 0.849 . . . . 0.0 109.878 175.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -54.14 -53.48 52.77 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.59 0.632 . . . . 0.0 110.921 176.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.1 tp -54.65 -57.13 12.66 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.854 0.461 . . . . 0.0 110.045 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.6 mp -56.88 -47.49 82.97 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.245 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 -178.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -54.34 -50.6 67.04 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.53 0.732 . . . . 0.0 110.564 178.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.7 ttpp -59.46 -44.79 92.92 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 122.855 0.462 . . . . 0.0 110.912 177.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 . . . . . 0 CA--C 1.535 0.404 0 O-C-N 121.958 -0.464 . . . . 0.0 111.963 175.043 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 . . . . . 0 N--CA 1.446 -0.664 0 CA-C-O 117.798 -1.096 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.2 mp -63.53 -45.02 98.88 Favored 'Isoleucine or valine' 0 C--N 1.343 0.322 0 CA-C-N 120.873 1.669 . . . . 0.0 110.359 -174.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.8 t -55.85 -56.29 13.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 123.403 0.681 . . . . 0.0 109.54 178.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -56.2 -52.23 65.15 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 120.794 0.33 . . . . 0.0 110.674 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 79.0 mt -64.1 -49.88 70.49 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 118.994 -0.527 . . . . 0.0 110.609 -173.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.3 ptm -60.95 -41.98 97.34 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 119.195 0.907 . . . . 0.0 110.289 179.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -56.38 -54.48 45.02 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 117.831 0.287 . . . . 0.0 110.563 176.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -56.87 -48.38 78.25 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 121.133 0.492 . . . . 0.0 111.968 178.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 65.7 mt -76.27 -35.18 59.05 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.062 0.545 . . . . 0.0 112.235 -169.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -78.56 62.83 3.23 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 119.031 0.832 . . . . 0.0 111.926 -174.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 47.7 mtm-85 -74.91 64.5 1.31 Allowed 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 168.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 48.7 35.47 6.36 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.126 1.37 . . . . 0.0 111.471 -167.546 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -87.83 -13.79 41.22 Favored 'General case' 0 C--O 1.223 -0.318 0 C-N-CA 123.876 0.87 . . . . 0.0 111.547 -179.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -48.39 -23.95 1.09 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.099 0.96 . . . . 0.0 113.46 176.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -55.25 -59.48 4.73 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.236 1.014 . . . . 0.0 110.292 168.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -148.32 108.63 4.12 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.825 1.65 . . . . 0.0 110.652 171.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.9 t -92.36 127.31 44.64 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.102 0 N-CA-C 104.736 -2.32 . . . . 0.0 104.736 169.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -89.94 152.29 21.29 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 119.796 1.18 . . . . 0.0 110.461 -168.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -41.93 -44.06 3.3 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.966 0.907 . . . . 0.0 113.089 174.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -61.0 -37.85 83.99 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.23 -0.919 . . . . 0.0 111.01 178.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -67.41 -40.53 85.57 Favored 'General case' 0 N--CA 1.454 -0.275 0 O-C-N 121.452 -0.78 . . . . 0.0 109.764 173.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -56.75 -44.96 82.25 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.61 0.641 . . . . 0.0 110.634 173.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.47 -43.85 94.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 O-C-N 121.408 -0.807 . . . . 0.0 110.356 179.199 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.3 m -59.31 -43.91 92.59 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.767 -0.583 . . . . 0.0 109.457 177.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -53.98 -46.02 71.58 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.708 1.203 . . . . 0.0 110.53 170.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.55 -49.39 76.51 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 177.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -52.0 -55.69 20.05 Favored Glycine 0 N--CA 1.447 -0.571 0 CA-C-O 119.247 -0.752 . . . . 0.0 111.709 177.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.55 -55.48 28.81 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 117.789 0.795 . . . . 0.0 110.598 178.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.9 tp -53.8 -42.51 68.45 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.874 1.27 . . . . 0.0 111.041 -177.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.36 -65.28 0.75 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.167 0.587 . . . . 0.0 110.604 176.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 13.9 ptm -59.38 -26.92 65.51 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.82 0.848 . . . . 0.0 113.207 -168.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.0 tt -51.76 -31.84 13.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 CA-C-N 119.18 0.9 . . . . 0.0 111.136 174.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -72.29 14.59 0.22 Allowed 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.272 0.842 . . . . 0.0 113.272 177.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -30.83 -50.41 0.14 Allowed 'General case' 0 C--N 1.342 0.251 0 C-N-CA 127.121 2.168 . . . . 0.0 113.95 175.41 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -56.47 -38.29 71.49 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.123 0.569 . . . . 0.0 111.961 -176.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -81.89 -52.42 7.1 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 176.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 CA--C 1.532 0.277 0 C-N-CA 123.653 0.781 . . . . 0.0 112.194 -175.266 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 CA--C 1.536 0.423 0 CA-C-O 118.866 -0.587 . . . . 0.0 109.892 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -54.92 -47.68 25.3 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 122.683 2.256 . . . . 0.0 110.808 -177.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 88.6 mt -56.82 -39.98 75.17 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 122.85 0.46 . . . . 0.0 111.216 175.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -66.81 -49.08 66.95 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 122.058 -0.401 . . . . 0.0 110.066 -176.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -63.28 -33.92 76.56 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 119.78 -0.768 . . . . 0.0 111.473 173.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.38 -50.42 72.96 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 119.287 0.949 . . . . 0.0 110.317 177.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 78.7 mt -57.59 -46.83 86.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 174.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.15 -55.36 10.42 Favored Glycine 0 CA--C 1.529 0.958 0 C-N-CA 123.854 0.74 . . . . 0.0 111.597 175.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 7.3 mp -55.47 -56.05 24.72 Favored 'General case' 0 C--O 1.226 -0.175 0 C-N-CA 123.522 0.729 . . . . 0.0 109.553 175.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 24.4 tp -50.31 -56.44 11.26 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.184 0.447 . . . . 0.0 111.202 -176.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 47.1 mm -63.33 -50.17 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 C-N-CA 123.051 0.54 . . . . 0.0 109.895 -178.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.95 -49.57 61.92 Favored Glycine 0 CA--C 1.53 0.99 0 CA-C-N 118.68 0.673 . . . . 0.0 111.646 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 90.8 mt -57.56 -53.78 39.86 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 175.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -53.57 -44.43 69.31 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.812 -0.555 . . . . 0.0 111.654 -179.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -42.82 71.92 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.706 1.202 . . . . 0.0 110.836 175.019 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 51.3 tttm -55.8 -42.73 76.04 Favored 'General case' 0 C--N 1.34 0.169 0 CA-C-N 118.095 0.407 . . . . 0.0 109.919 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -72.1 -71.3 0.29 Allowed 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 174.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 37.9 p -51.91 -30.23 23.37 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.17 0.988 . . . . 0.0 113.495 -169.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -50.24 -42.84 41.99 Favored Glycine 0 CA--C 1.527 0.842 0 O-C-N 121.362 -0.836 . . . . 0.0 113.945 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 4.5 ptpp? -74.4 -33.51 63.03 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.561 1.18 . . . . 0.0 112.939 -169.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -164.75 30.4 0.07 Allowed 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.136 0.425 . . . . 0.0 111.606 -171.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.97 -11.32 84.82 Favored Glycine 0 CA--C 1.527 0.794 0 O-C-N 120.808 -1.183 . . . . 0.0 112.785 -173.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 25.7 t70 70.68 -63.32 0.41 Allowed 'General case' 0 C--N 1.339 0.132 0 C-N-CA 126.407 1.883 . . . . 0.0 109.891 -169.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.01 -154.84 0.66 Allowed 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 169.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -75.81 62.09 1.5 Allowed 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.836 0.827 . . . . 0.0 109.487 174.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 16.4 p -144.65 170.06 16.8 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 128.434 2.694 . . . . 0.0 105.29 -174.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 12.0 tp -118.71 141.11 48.92 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.195 0.998 . . . . 0.0 109.922 -169.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 78.6 p -121.2 162.45 20.14 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.176 0.99 . . . . 0.0 113.217 -176.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -44.46 -45.92 9.38 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.752 1.221 . . . . 0.0 112.788 178.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -55.78 -39.59 71.47 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 121.625 -0.672 . . . . 0.0 110.761 178.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -77.13 -30.82 55.35 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.673 0.789 . . . . 0.0 110.131 -178.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.93 -46.29 89.99 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 121.424 -0.797 . . . . 0.0 109.129 168.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -59.76 -41.09 90.26 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.308 -0.87 . . . . 0.0 110.756 175.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -53.75 -52.13 61.17 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.638 -0.664 . . . . 0.0 109.696 171.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 58.4 tp -55.34 -49.91 71.01 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.042 0.537 . . . . 0.0 110.934 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 95.7 mt -53.06 -54.27 17.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 176.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -56.88 -37.44 71.37 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 122.412 -0.18 . . . . 0.0 111.401 178.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 C-N-CA 123.262 0.625 . . . . 0.0 111.084 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 38.9 tp . . . . . 0 CA--C 1.534 0.328 0 N-CA-C 110.707 -0.108 . . . . 0.0 110.707 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 2.2 ttp -55.64 -52.32 64.22 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.382 0.673 . . . . 0.0 109.794 172.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -55.33 -47.35 75.82 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 122.03 -0.418 . . . . 0.0 110.799 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -57.13 -53.12 61.67 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.825 0.85 . . . . 0.0 109.998 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 21.5 tp -53.77 -44.65 70.23 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 123.949 0.9 . . . . 0.0 110.908 175.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -68.84 -12.78 61.91 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 177.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 51.43 36.44 16.63 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 -168.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 76.8 -22.94 0.26 Allowed 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 128.575 2.75 . . . . 0.0 114.36 -175.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -78.47 67.89 4.35 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 120.973 -1.079 . . . . 0.0 110.949 -175.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -70.41 76.82 0.56 Allowed 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.552 -0.717 . . . . 0.0 110.935 179.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.49 -85.54 0.12 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 126.132 1.773 . . . . 0.0 108.192 178.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -138.62 138.11 37.56 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 106.53 -1.655 . . . . 0.0 106.53 168.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 34.5 m -139.25 158.21 28.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 124.661 1.184 . . . . 0.0 109.751 -171.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -93.32 153.32 18.62 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.054 0.542 . . . . 0.0 111.103 -169.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 93.6 t80 -45.45 -38.67 6.32 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.503 1.121 . . . . 0.0 113.131 173.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.0 tm0? -45.82 -42.78 12.72 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.134 -0.978 . . . . 0.0 111.241 172.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -73.69 -30.82 63.1 Favored 'General case' 0 N--CA 1.449 -0.507 0 O-C-N 121.456 -0.777 . . . . 0.0 109.859 -177.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -62.2 -46.36 89.23 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 121.67 -0.643 . . . . 0.0 110.352 169.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 23.9 mm -57.9 -47.22 86.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 O-C-N 122.022 -0.424 . . . . 0.0 109.948 173.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 23.5 m -56.8 -43.91 81.41 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 177.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -54.81 -50.39 68.68 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 124.04 0.936 . . . . 0.0 111.321 172.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 16.4 tp -55.41 -52.04 64.88 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 177.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -49.47 -59.38 7.21 Favored Glycine 0 C--N 1.336 0.53 0 C-N-CA 124.027 0.822 . . . . 0.0 111.693 177.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.47 -55.65 29.35 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 124.079 0.952 . . . . 0.0 110.34 -179.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 43.7 tp -57.06 -52.53 64.91 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.505 0.722 . . . . 0.0 110.657 -175.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.83 -47.45 85.65 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 122.057 -0.402 . . . . 0.0 111.192 178.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 28.6 ttt -62.91 -36.76 84.45 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 122.105 -0.372 . . . . 0.0 111.238 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 51.4 mt -62.15 -42.62 95.84 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 C-N-CA 124.172 0.989 . . . . 0.0 109.16 174.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -73.76 52.61 0.42 Allowed 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.727 0.775 . . . . 0.0 110.515 169.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -62.26 -48.53 79.49 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.675 0.79 . . . . 0.0 110.234 -169.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.65 -47.32 50.03 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.737 0.815 . . . . 0.0 111.738 177.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.76 -45.89 73.65 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 122.821 0.448 . . . . 0.0 110.324 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 34.7 tp . . . . . 0 CA--C 1.539 0.522 0 C-N-CA 123.331 0.653 . . . . 0.0 111.738 177.833 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.3 p . . . . . 0 N--CA 1.45 -0.47 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -51.86 -43.56 50.93 Favored 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 122.49 2.126 . . . . 0.0 111.308 169.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 11.0 mp -55.59 -55.09 36.05 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 175.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -63.17 -33.32 75.23 Favored 'General case' 0 C--O 1.226 -0.176 0 O-C-N 121.862 -0.524 . . . . 0.0 112.159 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -59.5 -49.58 77.22 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.701 0.682 . . . . 0.0 109.331 172.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.83 -52.96 61.11 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 122.777 0.431 . . . . 0.0 110.006 -176.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 78.0 mt -52.0 -52.97 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 175.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.87 -54.53 9.17 Favored Glycine 0 CA--C 1.525 0.718 0 C-N-CA 125.164 1.364 . . . . 0.0 111.743 177.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 36.6 mt -59.35 -49.9 76.03 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 117.548 0.674 . . . . 0.0 110.742 178.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.9 mt -57.43 -55.51 33.82 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 123.302 0.641 . . . . 0.0 111.465 -178.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.5 pt -66.72 -33.49 63.8 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.362 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.11 -60.36 9.06 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 175.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.8 tt -63.2 -34.55 67.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 118.074 0.937 . . . . 0.0 110.518 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -56.15 -50.55 70.82 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.679 -0.638 . . . . 0.0 111.37 173.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -60.27 -35.71 76.16 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 124.286 1.034 . . . . 0.0 109.495 176.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -60.68 -55.3 34.87 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.467 0.576 . . . . 0.0 109.55 176.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -54.8 -57.15 12.72 Favored 'General case' 0 C--N 1.34 0.166 0 CA-C-O 121.023 0.44 . . . . 0.0 110.27 177.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.6 t -51.49 -37.26 48.2 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.237 0.615 . . . . 0.0 111.062 178.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.15 -34.85 53.61 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 124.716 1.151 . . . . 0.0 112.71 175.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -74.63 61.36 0.96 Allowed 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.613 1.206 . . . . 0.0 110.599 178.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 54.74 34.16 21.14 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.231 1.413 . . . . 0.0 112.546 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.99 -42.32 5.36 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 108.463 -1.855 . . . . 0.0 108.463 168.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.2 t70 70.11 -64.95 0.34 Allowed 'General case' 0 C--N 1.34 0.187 0 C-N-CA 127.093 2.157 . . . . 0.0 111.981 173.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -73.18 154.41 40.3 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 174.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -77.71 65.09 3.12 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 122.099 0.952 . . . . 0.0 110.106 -177.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 58.5 p -138.05 159.46 41.97 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 105.978 -1.86 . . . . 0.0 105.978 172.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.0 mt -94.47 122.82 37.44 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 106.364 -1.717 . . . . 0.0 106.364 169.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.6 t -93.75 173.17 7.81 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.814 0.845 . . . . 0.0 109.806 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.6 mttp -37.65 -58.75 0.86 Allowed 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 126.988 2.115 . . . . 0.0 111.277 -177.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -59.65 -38.97 82.87 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.955 0.902 . . . . 0.0 112.085 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -69.83 -43.31 72.24 Favored 'General case' 0 N--CA 1.455 -0.195 0 O-C-N 121.467 -0.77 . . . . 0.0 109.932 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 54.3 tp -57.96 -46.97 84.28 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 173.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -54.75 -51.86 64.35 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.543 0.337 . . . . 0.0 110.361 175.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -53.0 -50.86 63.34 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.273 0.488 . . . . 0.0 110.556 177.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.1 tp -55.28 -55.51 30.62 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 122.251 -0.281 . . . . 0.0 110.296 178.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 71.4 mt -52.8 -47.18 51.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 C-N-CA 123.749 0.82 . . . . 0.0 110.297 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -58.26 -49.35 77.43 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.576 1.15 . . . . 0.0 110.4 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -64.97 -44.67 88.59 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 122.534 0.334 . . . . 0.0 111.323 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 . . . . . 0 CA--C 1.534 0.342 0 CA-C-N 117.908 0.322 . . . . 0.0 110.767 172.858 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 . . . . . 0 CA--C 1.536 0.424 0 CA-C-O 118.692 -0.671 . . . . 0.0 111.809 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 41.4 mm -62.11 -43.46 97.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 CA-C-N 119.994 1.27 . . . . 0.0 110.282 173.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 79.8 t -60.66 -45.52 97.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 O-C-N 121.476 -0.765 . . . . 0.0 109.929 176.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -55.75 -49.02 74.23 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.92 -0.487 . . . . 0.0 110.248 175.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.4 tp -57.51 -51.61 68.76 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.378 0.671 . . . . 0.0 110.176 177.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 27.4 ttt -49.91 -53.74 24.11 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.78 0.832 . . . . 0.0 109.652 177.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -58.39 -50.45 73.64 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 122.64 0.376 . . . . 0.0 111.405 177.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -53.63 -42.15 67.48 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.882 0.873 . . . . 0.0 111.753 -178.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.3 mt -77.25 -64.06 1.23 Allowed 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.296 0.569 . . . . 0.0 110.039 176.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -78.27 73.28 4.83 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.334 1.054 . . . . 0.0 109.317 178.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 84.1 mtm-85 -73.34 69.16 1.12 Allowed 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 174.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 56.58 40.34 29.44 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.546 1.538 . . . . 0.0 111.113 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -82.17 60.22 4.83 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 174.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.1 t70 56.61 -85.6 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.48 1.512 . . . . 0.0 109.4 -168.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -158.03 32.5 0.25 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.649 1.179 . . . . 0.0 109.158 169.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -106.94 170.58 7.86 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 125.482 1.513 . . . . 0.0 107.465 -178.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 81.1 t -126.06 131.28 71.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 106.358 -1.719 . . . . 0.0 106.358 169.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -93.16 152.13 19.42 Favored 'General case' 0 CA--C 1.53 0.201 0 O-C-N 121.641 -0.662 . . . . 0.0 109.586 -174.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -45.6 -43.09 11.95 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 174.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.08 -47.95 44.63 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.81 0.814 . . . . 0.0 110.195 173.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -70.95 -34.65 71.67 Favored 'General case' 0 N--CA 1.447 -0.59 0 O-C-N 121.804 -0.56 . . . . 0.0 110.819 -177.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -58.98 -48.98 79.63 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 118.897 0.771 . . . . 0.0 110.686 170.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 40.3 mm -55.72 -53.86 32.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 O-C-N 121.881 -0.512 . . . . 0.0 110.123 174.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 21.1 m -57.27 -38.32 73.72 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 121.942 -0.474 . . . . 0.0 110.403 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -63.55 -42.42 98.39 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 125.175 1.39 . . . . 0.0 110.526 177.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.7 tt -53.9 -50.04 67.24 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 172.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.94 -57.14 9.02 Favored Glycine 0 CA--C 1.527 0.787 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.753 172.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.35 -48.97 70.83 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.356 1.063 . . . . 0.0 111.773 -178.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 80.5 mt -54.25 -58.81 5.97 Favored 'General case' 0 CA--C 1.528 0.12 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 177.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.65 -43.41 76.24 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 27.5 ttp -62.36 -14.16 36.93 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 125.503 1.521 . . . . 0.0 113.093 -173.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.7 tp -58.84 -35.68 57.39 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-N 119.101 0.864 . . . . 0.0 109.787 169.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 64.9 -50.87 0.33 Allowed 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 128.349 2.66 . . . . 0.0 115.042 176.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -44.84 119.88 2.12 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 119.288 0.949 . . . . 0.0 111.407 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 67.61 -63.49 0.3 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.965 1.706 . . . . 0.0 111.752 -171.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.67 -49.92 3.05 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 125.733 1.613 . . . . 0.0 112.859 -175.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 38.1 tp . . . . . 0 C--O 1.225 -0.206 0 C-N-CA 123.885 0.874 . . . . 0.0 112.326 -175.288 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.537 0.445 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -50.56 -49.59 16.18 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 123.469 2.779 . . . . 0.0 112.241 -175.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -52.16 -53.51 42.16 Favored 'General case' 0 C--O 1.226 -0.18 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 175.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -63.69 -49.35 73.49 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 122.648 0.379 . . . . 0.0 110.852 -172.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -53.14 -48.21 68.1 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.086 0.554 . . . . 0.0 109.518 175.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.18 -57.17 6.46 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 120.827 0.346 . . . . 0.0 110.61 -172.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 91.6 mt -53.27 -50.41 47.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 124.231 1.012 . . . . 0.0 108.521 177.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.75 -57.75 10.33 Favored Glycine 0 CA--C 1.524 0.644 0 C-N-CA 124.4 1.0 . . . . 0.0 111.473 178.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 71.7 mt -54.9 -55.26 32.45 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 117.314 0.557 . . . . 0.0 110.391 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 44.5 mt -55.78 -57.87 10.21 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 122.445 0.298 . . . . 0.0 111.028 -176.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 8.6 tp -66.11 -40.87 88.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 O-C-N 122.236 -0.29 . . . . 0.0 110.381 -174.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.07 -59.15 11.15 Favored Glycine 0 C--N 1.337 0.613 0 N-CA-C 110.281 -1.127 . . . . 0.0 110.281 175.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 88.1 mt -53.38 -48.8 56.22 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 O-C-N 122.197 -0.59 . . . . 0.0 109.439 178.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -56.68 -46.2 81.31 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -58.89 -47.58 84.44 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.113 0.565 . . . . 0.0 110.156 175.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 56.7 mttm -65.76 -45.45 82.49 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.061 0.458 . . . . 0.0 109.913 -171.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -80.59 -82.44 0.12 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.513 177.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.46 -39.78 81.3 Favored 'General case' 0 N--CA 1.449 -0.483 0 O-C-N 120.875 -1.141 . . . . 0.0 111.484 -169.062 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.92 -62.88 5.87 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 178.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.21 -42.44 99.29 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 117.455 0.628 . . . . 0.0 111.607 -177.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -86.05 -51.45 6.32 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.218 0.463 . . . . 0.0 112.035 -170.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.2 -36.78 9.57 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 124.167 0.889 . . . . 0.0 111.838 -175.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 7.9 t70 60.48 -157.69 0.33 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.678 1.191 . . . . 0.0 109.384 -171.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? 39.12 32.76 0.07 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 127.033 2.133 . . . . 0.0 113.852 -176.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 44.3 m80 39.98 47.64 1.97 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.087 1.355 . . . . 0.0 112.29 -170.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 5.8 t -144.05 160.37 41.0 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 122.739 1.257 . . . . 0.0 111.993 -171.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 9.2 mp -101.71 165.41 11.23 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 127.686 2.394 . . . . 0.0 105.044 165.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 79.3 p -130.12 170.03 14.57 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 126.816 2.046 . . . . 0.0 106.093 169.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 33.6 tttp -54.42 -39.87 67.76 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 171.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -60.11 -58.96 6.29 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.847 0.859 . . . . 0.0 110.59 177.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -56.05 -43.88 78.33 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 118.196 0.453 . . . . 0.0 110.584 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 57.4 tp -59.24 -52.35 66.03 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.27 0.628 . . . . 0.0 109.904 -179.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -52.56 -53.97 39.2 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 124.212 1.005 . . . . 0.0 110.042 176.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -54.51 -53.39 55.06 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 122.845 0.458 . . . . 0.0 110.589 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 55.5 tp -54.97 -56.94 14.06 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 97.7 mt -59.19 -48.32 87.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -174.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.42 -43.75 79.72 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 118.363 0.529 . . . . 0.0 110.628 178.138 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm . . . . . 0 N--CA 1.454 -0.259 0 C-N-CA 122.544 0.338 . . . . 0.0 110.757 -179.72 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 51.3 tp . . . . . 0 CA--C 1.536 0.44 0 CA-C-O 120.87 0.367 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 70.0 mtm -57.2 -49.25 76.59 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.213 0.605 . . . . 0.0 110.478 176.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -56.77 -45.52 82.04 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.422 0.555 . . . . 0.0 111.44 178.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -61.24 -47.87 84.07 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.564 0.746 . . . . 0.0 110.227 -178.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 56.2 mt -69.31 -61.01 1.96 Allowed 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 120.755 0.312 . . . . 0.0 110.347 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -78.19 56.69 1.71 Allowed 'General case' 0 C--O 1.233 0.197 0 C-N-CA 123.919 0.888 . . . . 0.0 109.921 176.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.08 80.65 1.73 Allowed 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 106.907 -1.516 . . . . 0.0 106.907 175.107 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 19.2 m-20 84.96 -35.05 0.05 Allowed 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 126.775 2.03 . . . . 0.0 110.78 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -72.9 52.05 0.3 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.642 1.177 . . . . 0.0 112.516 -178.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -49.98 -37.75 33.82 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.877 1.271 . . . . 0.0 113.278 -171.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -103.3 -5.8 22.66 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.578 0.751 . . . . 0.0 112.043 -177.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -132.83 67.86 1.52 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.305 0.957 . . . . 0.0 113.448 -167.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 78.5 t -98.17 97.43 6.11 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 N-CA-C 103.522 -2.769 . . . . 0.0 103.522 166.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -87.22 158.62 19.07 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-O 121.209 0.528 . . . . 0.0 112.131 -164.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -39.87 -49.2 2.39 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.208 1.403 . . . . 0.0 113.446 176.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 27.5 mm100 -64.85 -31.0 72.03 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 120.84 -1.162 . . . . 0.0 111.836 178.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -70.28 -37.94 74.95 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.23 -0.919 . . . . 0.0 109.84 172.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -59.58 -46.14 89.81 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.808 0.731 . . . . 0.0 110.095 172.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 16.6 mm -55.81 -50.67 66.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 O-C-N 121.717 -0.614 . . . . 0.0 110.339 173.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 28.8 m -56.46 -40.8 75.44 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.602 -0.686 . . . . 0.0 110.234 177.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -63.11 -38.52 91.49 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.062 0.545 . . . . 0.0 111.313 175.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 tt -55.21 -51.42 66.62 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 170.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.15 -53.07 16.09 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 123.398 0.523 . . . . 0.0 111.969 174.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.51 -47.77 84.23 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 117.64 0.72 . . . . 0.0 111.566 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 35.0 tp -59.42 -45.85 90.38 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.135 0.974 . . . . 0.0 109.918 -178.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.35 -52.55 65.13 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 171.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 17.1 tmm? -50.89 -48.72 60.32 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 123.85 0.86 . . . . 0.0 111.32 -177.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 44.7 pt -65.32 -19.44 25.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 118.952 0.796 . . . . 0.0 112.963 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 12.2 m-30 -70.76 -13.62 62.12 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 119.566 1.076 . . . . 0.0 111.235 170.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 38.4 t30 34.64 -73.89 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 130.198 3.399 . . . . 0.0 116.227 168.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 23.7 mp0 -52.09 -41.91 62.79 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.755 0.822 . . . . 0.0 109.638 176.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.9 -31.59 50.47 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.469 0.708 . . . . 0.0 112.219 176.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 14.5 mt . . . . . 0 CA--C 1.534 0.358 0 C-N-CA 124.211 1.004 . . . . 0.0 111.143 -179.719 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 CA--C 1.534 0.345 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_exo -46.6 -50.25 10.78 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 123.813 3.009 . . . . 0.0 114.162 -174.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.9 tp -59.42 -42.93 92.98 Favored 'General case' 0 CA--C 1.528 0.116 0 O-C-N 121.683 -0.636 . . . . 0.0 110.714 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -64.86 -41.04 96.01 Favored 'General case' 0 N--CA 1.455 -0.201 0 O-C-N 121.918 -0.489 . . . . 0.0 110.679 178.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -58.11 -44.54 87.75 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 122.244 -0.285 . . . . 0.0 110.311 172.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.13 -51.32 66.98 Favored 'General case' 0 N--CA 1.457 -0.099 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -177.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 86.5 mt -51.72 -51.23 28.31 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.205 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 173.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.65 -52.8 19.1 Favored Glycine 0 CA--C 1.529 0.964 0 C-N-CA 124.332 0.968 . . . . 0.0 111.905 176.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -57.18 -55.81 29.86 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.7 mp -51.8 -60.63 2.95 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.914 0.886 . . . . 0.0 111.442 -178.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 pp -58.96 -43.67 89.26 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.141 0 CA-C-N 118.177 0.444 . . . . 0.0 110.022 -177.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.66 -60.93 8.1 Favored Glycine 0 C--N 1.338 0.646 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 -179.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 16.1 tt -62.96 -41.31 92.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.229 -177.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -62.19 -41.87 98.76 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 118.594 0.633 . . . . 0.0 111.681 -178.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -59.0 -44.1 91.61 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 122.961 0.504 . . . . 0.0 110.625 173.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -65.88 -62.58 1.42 Allowed 'General case' 0 CA--C 1.528 0.129 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -178.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -51.85 -81.43 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 127.273 2.229 . . . . 0.0 110.463 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.86 70.08 8.69 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.175 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 178.36 -62.17 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.429 0 N-CA-C 111.415 -0.674 . . . . 0.0 111.415 174.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.61 -39.52 14.02 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -114.64 31.57 6.55 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.632 1.173 . . . . 0.0 110.657 -173.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.46 175.91 37.14 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 109.188 -1.565 . . . . 0.0 109.188 -171.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -63.75 151.0 43.28 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.584 0.753 . . . . 0.0 110.997 -172.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.2 94.43 0.15 Allowed 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 125.329 1.451 . . . . 0.0 111.654 -168.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 59.04 35.68 24.04 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 126.013 1.725 . . . . 0.0 111.68 170.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.4 t -145.15 141.61 28.9 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 177.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 tt -111.13 129.81 55.82 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 125.876 1.671 . . . . 0.0 107.753 -173.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.6 t -145.27 174.7 10.87 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 126.792 2.037 . . . . 0.0 108.593 -178.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.46 -33.43 9.34 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.973 0.909 . . . . 0.0 112.386 178.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -55.72 -55.39 32.87 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.055 0.942 . . . . 0.0 110.129 173.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.2 mp0 -65.95 -39.72 90.71 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.291 0.637 . . . . 0.0 109.479 -177.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.97 -55.56 31.29 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 174.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -50.97 -54.9 20.33 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.612 1.165 . . . . 0.0 109.81 178.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -57.08 -43.2 81.92 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 117.902 0.319 . . . . 0.0 111.656 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.4 tp -59.46 -54.98 40.38 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 118.323 0.511 . . . . 0.0 110.773 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 36.6 pt -64.66 -39.39 85.46 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.235 0 C-N-CA 120.029 -0.668 . . . . 0.0 110.442 -178.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -54.76 -49.05 71.8 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 121.589 -0.694 . . . . 0.0 110.355 175.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -66.53 -54.58 22.16 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.092 0.557 . . . . 0.0 111.306 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 . . . . . 0 CA--C 1.53 0.183 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -169.838 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 . . . . . 0 N--CA 1.447 -0.621 0 CA-C-O 117.031 -1.461 . . . . 0.0 112.033 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.6 pt -62.68 -45.39 98.95 Favored 'Isoleucine or valine' 0 C--N 1.346 0.428 0 CA-C-N 121.935 2.152 . . . . 0.0 110.569 -177.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.9 p -66.62 -42.82 90.4 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.623 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 65.8 tttp -57.97 -49.17 77.71 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 118.318 0.508 . . . . 0.0 110.461 176.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.1 mt -63.26 -48.07 79.73 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 122.777 0.431 . . . . 0.0 109.92 -178.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -51.31 -50.35 59.54 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.545 0.611 . . . . 0.0 110.127 173.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -59.66 -51.02 71.58 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 120.592 0.234 . . . . 0.0 111.053 -178.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -55.94 -50.26 71.23 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.666 0.787 . . . . 0.0 111.587 178.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 51.0 mt -79.91 -47.75 14.54 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.298 0.639 . . . . 0.0 111.995 -169.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -118.18 -31.52 4.98 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 124.207 1.003 . . . . 0.0 112.705 -169.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.42 -62.83 0.43 Allowed 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 124.147 0.979 . . . . 0.0 111.353 175.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -134.96 -68.13 0.54 Allowed 'General case' 0 N--CA 1.457 -0.099 0 C-N-CA 123.888 0.875 . . . . 0.0 110.398 -177.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -151.5 160.6 43.63 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 32.77 56.22 0.42 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 127.252 2.221 . . . . 0.0 115.679 169.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -135.95 147.16 47.95 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 168.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -142.5 150.13 40.08 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 105.941 -1.874 . . . . 0.0 105.941 -178.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 6.0 m -110.11 147.45 14.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 176.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -90.63 166.63 13.07 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.239 -0.913 . . . . 0.0 109.6 -169.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -37.94 -49.45 1.24 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.508 1.123 . . . . 0.0 113.442 173.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -58.68 -37.23 75.59 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.535 1.061 . . . . 0.0 111.242 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -73.97 -34.03 64.08 Favored 'General case' 0 N--CA 1.452 -0.36 0 O-C-N 121.338 -0.852 . . . . 0.0 111.165 176.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -52.66 -53.43 47.31 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 119.29 0.95 . . . . 0.0 109.502 171.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -51.28 74.48 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.289 0 C-N-CA 119.289 -0.964 . . . . 0.0 110.19 175.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.9 m -49.26 -44.63 43.94 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.155 0.889 . . . . 0.0 111.465 -179.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -61.5 -47.49 85.38 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.473 1.109 . . . . 0.0 110.519 176.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.3 tt -48.2 -52.35 21.3 Favored 'General case' 0 C--N 1.342 0.268 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 172.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.67 -52.41 45.86 Favored Glycine 0 C--O 1.225 -0.463 0 CA-C-O 119.367 -0.685 . . . . 0.0 111.72 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.34 -54.71 43.73 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 118.395 1.098 . . . . 0.0 110.821 178.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -54.11 -42.52 69.53 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 125.916 1.686 . . . . 0.0 110.791 -177.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.95 -47.44 45.45 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.848 0.859 . . . . 0.0 111.223 178.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 27.5 ttt -67.44 -41.48 84.69 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 123.632 0.773 . . . . 0.0 111.938 -169.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 18.4 tt -39.42 -42.96 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 C-N-CA 124.797 1.239 . . . . 0.0 114.284 -169.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -57.71 -41.91 82.69 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.893 -0.505 . . . . 0.0 111.805 -179.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 60.18 -69.18 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 127.159 2.184 . . . . 0.0 112.727 -179.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -50.75 -41.88 56.99 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 124.646 1.178 . . . . 0.0 110.934 179.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.15 -31.07 68.64 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 178.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 61.7 mt . . . . . 0 N--CA 1.456 -0.17 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 177.576 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 CA--C 1.537 0.48 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -54.77 -40.22 85.88 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 123.104 2.536 . . . . 0.0 111.782 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -57.45 -37.81 73.45 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.572 -0.705 . . . . 0.0 112.156 173.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -68.87 -42.45 77.02 Favored 'General case' 0 N--CA 1.457 -0.088 0 O-C-N 121.386 -0.821 . . . . 0.0 110.037 177.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -54.41 -44.53 72.43 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 171.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.14 -43.98 96.84 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.036 0.535 . . . . 0.0 111.194 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 84.9 mt -54.51 -48.14 70.38 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 171.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.05 -55.43 11.87 Favored Glycine 0 CA--C 1.529 0.939 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 173.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 96.0 mt -56.9 -46.73 81.72 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 117.56 0.68 . . . . 0.0 111.061 177.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 34.8 tp -59.08 -47.52 84.94 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.238 0.615 . . . . 0.0 110.624 -178.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 92.3 mt -58.06 -48.68 83.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 173.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -44.45 -61.56 3.19 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 124.638 1.114 . . . . 0.0 111.029 175.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 68.6 mt -54.67 -62.32 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 124.389 1.076 . . . . 0.0 109.416 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -56.73 -54.58 44.58 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -169.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -62.17 -30.83 71.33 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-O 119.484 -0.293 . . . . 0.0 110.728 -175.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -62.48 -50.63 70.65 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.409 0.55 . . . . 0.0 109.793 -178.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -70.17 -58.24 4.02 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 177.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 88.3 p -61.42 -23.15 65.63 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -174.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.19 -31.19 33.52 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 124.79 1.186 . . . . 0.0 112.493 171.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -76.11 60.71 1.48 Allowed 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.773 1.286 . . . . 0.0 109.784 174.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 161.94 -63.18 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 128.748 2.819 . . . . 0.0 105.407 -169.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.47 -66.44 1.3 Allowed Glycine 0 CA--C 1.527 0.841 0 C-N-CA 124.644 1.116 . . . . 0.0 112.891 169.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -41.63 -56.78 2.49 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.658 1.583 . . . . 0.0 113.301 -169.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 27.5 mtmm -100.05 17.9 19.92 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 118.819 -0.61 . . . . 0.0 111.867 -177.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 20.21 78.05 0.01 OUTLIER 'General case' 0 C--N 1.345 0.393 0 C-N-CA 127.097 2.159 . . . . 0.0 112.9 -168.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 8.5 t -141.33 149.45 41.2 Favored 'General case' 0 N--CA 1.436 -1.143 0 CA-C-N 114.151 -1.386 . . . . 0.0 108.013 -172.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 65.8 mt -92.5 104.7 16.99 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 105.448 -2.056 . . . . 0.0 105.448 169.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.35 170.89 9.42 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 106.851 -1.537 . . . . 0.0 106.851 170.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -41.73 -52.76 3.83 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.186 0.994 . . . . 0.0 113.358 -169.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.37 -55.74 28.08 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 121.063 0.459 . . . . 0.0 110.797 -179.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -60.02 -44.99 94.24 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.992 0.917 . . . . 0.0 110.318 -177.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 8.5 tt -56.81 -56.47 21.17 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.446 1.098 . . . . 0.0 109.686 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -53.57 -50.36 65.74 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.614 0.766 . . . . 0.0 110.141 177.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -53.59 -50.62 65.23 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 122.73 0.412 . . . . 0.0 110.143 178.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.7 tt -55.36 -56.88 15.05 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.107 0.563 . . . . 0.0 110.677 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 36.6 pt -64.52 -30.75 51.09 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 C-N-CA 120.016 -0.674 . . . . 0.0 112.054 -176.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -65.4 -61.89 1.85 Allowed 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 118.513 0.597 . . . . 0.0 110.39 172.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? . . . . . 0 N--CA 1.46 0.065 0 C-N-CA 123.28 0.632 . . . . 0.0 111.258 -176.29 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 62.8 mt . . . . . 0 CA--C 1.531 0.22 0 N-CA-C 110.453 -0.203 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 50.5 mtt -56.35 -52.08 65.91 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 117.815 0.28 . . . . 0.0 110.388 175.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -56.27 -53.55 55.96 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 122.815 0.446 . . . . 0.0 110.846 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -51.64 -50.46 60.28 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 123.3 0.64 . . . . 0.0 110.573 177.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 24.4 tp -61.96 -36.89 82.76 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 122.112 -0.367 . . . . 0.0 111.034 179.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -80.08 18.14 0.89 Allowed 'General case' 0 C--O 1.232 0.132 0 C-N-CA 124.336 1.054 . . . . 0.0 112.977 171.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 78.0 mtm180 69.54 -63.46 0.38 Allowed 'General case' 0 C--N 1.34 0.193 0 C-N-CA 127.499 2.32 . . . . 0.0 110.788 172.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -163.08 69.59 0.23 Allowed 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 125.71 1.604 . . . . 0.0 107.097 175.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 7.3 mptt 50.62 36.08 13.08 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.433 1.093 . . . . 0.0 111.917 -176.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -148.71 57.06 1.04 Allowed 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 118.859 0.754 . . . . 0.0 111.488 -170.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -158.19 -178.07 7.02 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 106.597 -1.631 . . . . 0.0 106.597 169.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -123.47 146.21 48.23 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 103.444 -2.799 . . . . 0.0 103.444 168.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 72.4 t -95.59 113.87 30.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 -175.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -86.54 158.42 19.53 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 120.2 1.364 . . . . 0.0 107.53 -175.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -41.42 -48.02 3.72 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.761 1.022 . . . . 0.0 113.761 -176.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -66.59 -33.45 75.7 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.035 -1.04 . . . . 0.0 111.237 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -68.39 -41.27 80.74 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 120.874 -1.141 . . . . 0.0 110.273 174.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -57.8 -45.34 86.23 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 124.018 0.927 . . . . 0.0 109.944 174.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 5.7 mm -60.44 -50.26 81.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 123.0 0.52 . . . . 0.0 110.274 175.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 28.6 m -56.78 -40.73 76.4 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.766 -0.584 . . . . 0.0 110.046 176.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -59.64 -42.99 94.02 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 124.809 1.244 . . . . 0.0 110.772 174.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.9 tt -56.15 -51.9 66.28 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 174.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.16 -50.68 33.18 Favored Glycine 0 C--N 1.336 0.551 0 C-N-CA 123.411 0.529 . . . . 0.0 112.904 175.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.66 -53.39 55.28 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.48 0.712 . . . . 0.0 109.548 -177.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 56.7 tp -53.35 -51.78 61.33 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 124.964 1.306 . . . . 0.0 110.263 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.74 -49.5 75.04 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.083 0.553 . . . . 0.0 110.762 176.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 49.8 ttp -59.69 -35.05 73.71 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 122.976 0.511 . . . . 0.0 112.03 177.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.4 mp -72.09 -43.91 66.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 C-N-CA 124.76 1.224 . . . . 0.0 110.251 178.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -53.52 -45.85 69.92 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 169.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 68.83 -71.37 0.12 Allowed 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.834 1.654 . . . . 0.0 113.124 168.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -54.67 -36.84 65.03 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.733 0.813 . . . . 0.0 110.575 -176.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.85 -46.21 51.13 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.547 1.139 . . . . 0.0 111.517 173.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 2.7 tm? . . . . . 0 N--CA 1.456 -0.159 0 C-N-CA 123.671 0.788 . . . . 0.0 109.162 -176.448 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.8 p . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -51.07 -44.09 44.4 Favored 'Trans proline' 0 N--CA 1.456 -0.715 0 C-N-CA 122.695 2.264 . . . . 0.0 111.334 169.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 89.0 mt -59.32 -53.91 52.79 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.688 0.795 . . . . 0.0 110.393 177.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -56.03 -43.5 77.88 Favored 'General case' 0 C--O 1.225 -0.199 0 CA-C-N 118.349 0.522 . . . . 0.0 111.287 177.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.76 -43.15 76.44 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 122.754 0.422 . . . . 0.0 110.816 172.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.14 -43.89 81.2 Favored 'General case' 0 CA--C 1.528 0.121 0 O-C-N 121.831 -0.543 . . . . 0.0 109.895 -177.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.0 mt -56.72 -46.81 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 172.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.14 -51.2 31.38 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 124.158 0.885 . . . . 0.0 111.46 174.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.3 tt -57.31 -56.07 26.6 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.414 0.686 . . . . 0.0 110.171 177.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.8 mt -53.87 -50.18 66.86 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 123.658 0.783 . . . . 0.0 111.194 -178.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.1 mm -53.65 -54.2 20.71 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.398 0 C-N-CA 124.397 1.079 . . . . 0.0 108.767 173.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.12 -57.28 9.09 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 123.872 0.749 . . . . 0.0 111.533 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.5 mm -57.11 -47.97 82.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-N 116.975 0.387 . . . . 0.0 110.458 -178.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -54.68 -50.33 68.49 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 122.404 1.097 . . . . 0.0 110.733 176.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -69.02 -16.44 63.71 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 124.848 1.259 . . . . 0.0 111.925 -170.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -48.13 -48.41 34.11 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 119.292 0.951 . . . . 0.0 109.283 169.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -78.61 -56.85 4.1 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.464 -175.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.6 m -57.14 -25.41 58.84 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -178.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.77 -46.96 93.16 Favored Glycine 0 CA--C 1.525 0.699 0 O-C-N 121.579 -0.701 . . . . 0.0 111.514 173.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -71.42 -50.7 29.25 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 175.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -83.45 64.09 7.67 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.07 53.3 3.01 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 123.609 0.623 . . . . 0.0 113.257 -172.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -89.57 -43.5 10.74 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 117.82 0.81 . . . . 0.0 109.679 171.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -168.74 160.89 10.87 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 105.895 -1.891 . . . . 0.0 105.895 -173.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 66.5 t-80 -71.36 69.12 0.55 Allowed 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 170.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.6 t -138.53 165.01 27.94 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 126.412 1.885 . . . . 0.0 106.898 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 75.5 mt -101.61 171.45 7.55 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 125.126 1.37 . . . . 0.0 107.398 167.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.7 p -146.33 169.95 17.79 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 105.607 -1.997 . . . . 0.0 105.607 169.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -52.63 -39.79 62.1 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.557 0.743 . . . . 0.0 112.134 -174.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -57.23 -52.29 65.9 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 121.187 0.518 . . . . 0.0 109.92 175.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -62.58 -41.03 98.69 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 122.999 0.52 . . . . 0.0 110.046 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -54.75 -52.33 62.89 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.27 1.028 . . . . 0.0 109.074 174.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 55.1 tttm -55.76 -48.01 76.0 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.748 0.819 . . . . 0.0 110.702 177.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -58.03 -48.75 79.14 Favored 'General case' 0 CA--C 1.53 0.175 0 O-C-N 121.325 -0.859 . . . . 0.0 110.773 176.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.7 tp -55.54 -54.52 43.01 Favored 'General case' 0 N--CA 1.452 -0.33 0 O-C-N 122.022 -0.424 . . . . 0.0 111.119 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 31.2 pt -60.43 -40.47 84.26 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 C-N-CA 119.673 -0.811 . . . . 0.0 110.744 -179.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -56.34 -44.32 79.91 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 118.593 0.633 . . . . 0.0 110.71 173.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.3 mmtm -63.5 -51.63 64.73 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 119.305 0.957 . . . . 0.0 111.95 177.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 . . . . . 0 CA--C 1.539 0.545 0 CA-C-N 118.905 0.775 . . . . 0.0 110.231 175.687 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 . . . . . 0 N--CA 1.449 -0.518 0 CA-C-O 118.879 -0.582 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.76 -42.31 93.94 Favored 'Isoleucine or valine' 0 C--N 1.343 0.292 0 C-N-CA 118.668 -1.213 . . . . 0.0 111.145 -175.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.1 p -59.11 -40.46 80.96 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 CA-C-N 118.926 0.784 . . . . 0.0 110.759 176.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -62.4 -48.82 78.02 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.067 -0.396 . . . . 0.0 110.259 177.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.31 -46.94 88.2 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 122.129 -0.357 . . . . 0.0 110.496 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 45.9 mtt -52.58 -56.07 17.86 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 122.843 0.457 . . . . 0.0 110.016 173.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -52.56 -52.68 53.84 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 122.801 0.44 . . . . 0.0 110.905 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -51.67 -48.15 63.53 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.255 1.022 . . . . 0.0 111.557 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 77.6 mt -72.22 -39.18 68.71 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 117.687 0.222 . . . . 0.0 111.558 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -66.75 -50.88 61.33 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 124.767 1.227 . . . . 0.0 110.71 -174.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 64.89 -68.4 0.11 Allowed 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 126.328 1.851 . . . . 0.0 111.997 178.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -156.63 5.63 0.17 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.957 1.303 . . . . 0.0 112.123 -178.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -66.28 -38.13 87.08 Favored 'General case' 0 C--N 1.342 0.263 0 CA-C-N 119.36 0.982 . . . . 0.0 109.902 -178.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 24.7 -64.62 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.363 1 C-N-CA 132.467 4.307 . . . . 0.0 116.026 167.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.406 ' NE2' ' H ' ' A' ' 66' ' ' GLN . 2.0 mp0 -39.04 -47.32 1.49 Allowed 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 125.816 1.647 . . . . 0.0 110.463 170.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -128.28 135.51 49.73 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 125.402 1.481 . . . . 0.0 107.173 170.033 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 59.4 t -120.82 121.8 66.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 103.75 -2.685 . . . . 0.0 103.75 168.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -92.22 151.89 20.12 Favored 'General case' 0 N--CA 1.457 -0.093 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -166.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -50.61 -41.77 55.18 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.286 0.634 . . . . 0.0 111.076 173.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.1 tp60 -56.96 -38.16 72.58 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.377 -0.827 . . . . 0.0 111.655 175.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -64.14 -42.14 96.91 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 177.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -58.8 -45.87 88.89 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 122.161 -0.337 . . . . 0.0 111.286 176.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.83 -47.25 89.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 119.33 -0.948 . . . . 0.0 110.911 179.039 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.8 p -62.16 -37.49 85.44 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 121.762 -0.586 . . . . 0.0 110.58 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -55.23 -53.6 53.96 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.563 1.145 . . . . 0.0 110.607 169.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.5 tp -51.37 -48.08 62.62 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.047 0.539 . . . . 0.0 109.932 175.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.83 -57.11 11.42 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.372 -0.691 . . . . 0.0 111.372 173.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.22 -47.43 72.16 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.175 0.99 . . . . 0.0 110.943 -178.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.4 mp -54.16 -56.77 15.0 Favored 'General case' 0 C--O 1.228 -0.068 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 175.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.01 -40.64 77.03 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 111.503 0.186 . . . . 0.0 111.503 -178.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 47.8 mtt -61.04 -49.44 77.37 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.233 0.613 . . . . 0.0 110.726 175.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 17.7 mm -54.14 -45.55 66.3 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 O-C-N 121.321 -0.862 . . . . 0.0 109.148 174.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -77.84 25.05 0.21 Allowed 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 175.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -51.61 -35.92 43.6 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 119.874 1.215 . . . . 0.0 110.903 171.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -46.07 -48.34 17.02 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.133 0.973 . . . . 0.0 111.854 170.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -78.36 -37.07 45.14 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.656 0.782 . . . . 0.0 110.236 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 53.1 tp . . . . . 0 C--O 1.227 -0.129 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 175.165 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.535 0.367 0 CA-C-O 117.905 -1.045 . . . . 0.0 109.599 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_exo -43.98 -53.4 4.66 Favored 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 123.52 2.814 . . . . 0.0 113.828 -175.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 48.0 mt -63.26 -40.53 97.66 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.923 -0.485 . . . . 0.0 111.082 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -62.35 -43.05 99.73 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 118.378 0.535 . . . . 0.0 110.423 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.2 -40.68 90.91 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 122.921 0.488 . . . . 0.0 110.369 173.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.06 -49.27 75.2 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.5 mp -51.05 -51.98 19.53 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.33 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 170.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.75 -54.28 11.7 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 124.141 0.877 . . . . 0.0 111.666 178.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 62.6 tp -60.23 -57.0 14.7 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 122.253 -0.557 . . . . 0.0 110.477 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 8.0 tt -58.44 -50.66 72.91 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 122.971 0.508 . . . . 0.0 111.234 -173.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 4.6 tt -64.38 -39.38 85.35 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 C-N-CA 123.799 0.84 . . . . 0.0 109.327 178.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.91 -45.06 92.27 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 123.843 0.735 . . . . 0.0 111.776 174.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 92.6 mt -62.83 -58.11 9.03 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 175.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -58.33 -34.61 70.81 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 122.428 0.291 . . . . 0.0 111.544 -173.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -48.21 -48.51 34.89 Favored 'General case' 0 N--CA 1.457 -0.086 0 C-N-CA 125.479 1.511 . . . . 0.0 111.688 176.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -43.36 -56.78 3.36 Favored 'General case' 0 C--N 1.337 0.06 0 C-N-CA 124.11 0.964 . . . . 0.0 111.529 -168.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -84.63 -80.65 0.2 Allowed 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.078 173.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -52.47 -32.22 38.69 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 126.967 2.107 . . . . 0.0 115.019 -168.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.41 -63.47 1.57 Allowed Glycine 0 C--N 1.334 0.433 0 N-CA-C 110.149 -1.181 . . . . 0.0 110.149 -176.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -56.63 -42.52 78.98 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.383 0.673 . . . . 0.0 110.938 -177.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -74.85 -12.43 60.38 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 178.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.89 -71.91 0.9 Allowed Glycine 0 CA--C 1.526 0.721 0 C-N-CA 124.465 1.031 . . . . 0.0 111.296 177.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.6 p30 41.62 -108.08 0.09 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.379 1.872 . . . . 0.0 111.003 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -138.39 37.95 2.27 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 169.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 44.92 61.87 2.33 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 122.895 1.331 . . . . 0.0 111.695 -170.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 3.2 t -144.71 156.69 44.21 Favored 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 127.33 2.252 . . . . 0.0 105.82 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 5.3 mp -92.7 107.35 19.15 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 103.998 -2.593 . . . . 0.0 103.998 166.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 67.0 p -89.98 162.17 15.52 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 -179.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -42.78 -46.17 5.09 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -173.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -62.49 -62.12 1.97 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 122.993 0.517 . . . . 0.0 110.426 -178.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -65.38 -29.36 70.06 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 121.56 -0.712 . . . . 0.0 111.091 -175.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 9.3 tt -62.41 -48.02 81.55 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.413 0.685 . . . . 0.0 109.532 170.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -55.58 -46.3 77.27 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.95 -0.468 . . . . 0.0 110.107 175.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -54.78 -52.46 62.55 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.619 -0.675 . . . . 0.0 110.154 174.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.2 tt -50.56 -61.42 2.2 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 118.859 -0.591 . . . . 0.0 110.22 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 26.4 pt -58.65 -41.22 81.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-N 118.669 0.668 . . . . 0.0 110.749 -174.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -55.93 -54.52 43.76 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.581 0.628 . . . . 0.0 111.22 175.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? . . . . . 0 CA--C 1.534 0.364 0 CA-C-N 118.652 0.66 . . . . 0.0 110.585 -179.819 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 22.7 tp . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 58.5 mtt -62.84 -41.61 99.42 Favored 'General case' 0 N--CA 1.453 -0.283 0 O-C-N 122.147 -0.346 . . . . 0.0 110.889 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -59.16 -50.37 74.28 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 118.663 0.665 . . . . 0.0 110.526 174.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -53.07 -45.84 68.31 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.886 0.874 . . . . 0.0 111.295 176.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.0 tt -59.48 -58.38 8.87 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 174.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -56.61 -43.87 80.59 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 125.493 1.517 . . . . 0.0 111.847 -171.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 72.42 -58.5 0.59 Allowed 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 125.959 1.704 . . . . 0.0 111.178 -177.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -78.14 20.46 0.38 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.878 0.871 . . . . 0.0 112.517 -177.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 93.2 mttt 67.68 -59.98 0.4 Allowed 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 126.436 1.894 . . . . 0.0 112.938 -173.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -121.53 136.22 54.97 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 126.385 1.874 . . . . 0.0 107.856 170.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -164.43 174.65 10.76 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 126.787 2.035 . . . . 0.0 105.765 -176.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -92.06 94.09 9.07 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 177.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 78.1 t -89.83 103.06 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 N-CA-C 105.277 -2.12 . . . . 0.0 105.277 -171.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -92.85 149.31 21.35 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 123.523 0.729 . . . . 0.0 110.156 -168.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -54.54 -38.69 66.88 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -173.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -45.14 84.18 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.491 -0.756 . . . . 0.0 109.815 175.357 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -66.12 -43.24 87.76 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 121.842 -0.536 . . . . 0.0 109.6 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -50.86 -52.47 41.35 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.078 0.551 . . . . 0.0 110.254 174.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 17.1 mm -61.0 -50.62 79.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 123.248 0.619 . . . . 0.0 111.522 178.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 27.1 m -56.6 -45.44 81.41 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 121.426 0.631 . . . . 0.0 109.429 -179.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -61.57 -41.39 97.33 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.43 1.092 . . . . 0.0 110.951 176.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 3.6 tt -54.12 -53.2 56.52 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 174.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.56 -54.17 31.67 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 177.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.53 -49.49 74.63 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 117.712 0.756 . . . . 0.0 111.383 -179.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 58.9 tp -58.26 -48.33 80.79 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.272 1.029 . . . . 0.0 109.942 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.84 -38.73 91.92 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.703 0.401 . . . . 0.0 111.336 178.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 16.7 tmm? -59.52 -48.26 82.34 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 121.747 -0.595 . . . . 0.0 109.573 173.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 88.3 mt -56.21 -42.7 74.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-N 118.664 0.665 . . . . 0.0 110.018 173.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -58.67 -7.28 0.92 Allowed 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.067 0.765 . . . . 0.0 113.067 175.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -50.4 -35.69 29.43 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 120.64 1.564 . . . . 0.0 110.122 167.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -57.76 -40.11 78.98 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 122.212 -0.305 . . . . 0.0 111.72 172.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.41 -43.94 68.97 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.038 0.535 . . . . 0.0 110.55 177.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 7.1 mp . . . . . 0 CA--C 1.536 0.415 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 174.092 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.1 m . . . . . 0 CA--C 1.535 0.374 0 CA-C-O 118.271 -0.871 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -38.05 -53.32 1.63 Allowed 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 124.593 3.529 . . . . 0.0 115.439 -170.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -57.24 -50.49 72.71 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 117.992 0.36 . . . . 0.0 111.475 -179.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -68.28 -33.2 73.91 Favored 'General case' 0 CA--C 1.517 -0.308 0 O-C-N 121.911 -0.493 . . . . 0.0 110.357 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -65.29 -40.52 93.95 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 117.817 0.28 . . . . 0.0 110.76 177.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.21 -49.19 17.81 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 124.167 0.987 . . . . 0.0 109.931 -176.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.1 mt -52.18 -48.18 43.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 169.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.07 -49.81 54.09 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 124.647 1.118 . . . . 0.0 111.176 176.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 64.7 tp -55.43 -54.08 48.2 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 117.765 0.782 . . . . 0.0 110.48 175.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 tp -52.67 -55.89 19.34 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 121.613 0.721 . . . . 0.0 110.596 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 67.2 mt -53.55 -47.1 60.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 C-N-CA 123.719 0.808 . . . . 0.0 109.353 178.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.56 -56.66 23.43 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 124.237 0.922 . . . . 0.0 111.593 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.4 pt -62.18 -35.49 69.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 O-C-N 121.805 -0.821 . . . . 0.0 111.012 -177.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -62.04 -55.42 29.32 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.304 0.502 . . . . 0.0 109.872 172.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -52.95 -32.26 44.99 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 125.969 1.707 . . . . 0.0 111.675 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -50.77 -46.92 59.69 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.485 0.584 . . . . 0.0 110.484 175.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -80.25 -53.71 6.4 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 123.715 0.806 . . . . 0.0 109.595 175.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.2 m -74.96 61.85 1.08 Allowed 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 124.655 1.182 . . . . 0.0 110.015 175.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -170.45 -58.58 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 107.792 -2.123 . . . . 0.0 107.792 -178.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.4 pttt -68.45 -36.07 78.48 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 117.01 0.405 . . . . 0.0 111.099 174.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -127.32 -60.22 1.2 Allowed 'General case' 0 C--N 1.341 0.215 0 C-N-CA 123.277 0.631 . . . . 0.0 111.189 -177.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.45 147.26 40.31 Favored Glycine 0 CA--C 1.531 1.072 0 N-CA-C 110.07 -1.212 . . . . 0.0 110.07 -175.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -78.46 38.31 0.3 Allowed 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.34 -1.094 . . . . 0.0 113.601 -169.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp 68.15 -49.17 0.54 Allowed 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 126.086 1.755 . . . . 0.0 112.074 -169.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 58.7 m80 -79.75 -18.26 51.54 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 125.499 1.52 . . . . 0.0 112.496 -173.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.4 p -141.13 168.6 19.4 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 119.18 0.9 . . . . 0.0 109.225 178.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.3 tt -131.46 118.76 20.64 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 127.032 2.133 . . . . 0.0 106.486 175.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.8 m -93.74 158.96 15.42 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.354 0.661 . . . . 0.0 111.963 -171.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -44.79 -47.31 10.9 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.402 1.081 . . . . 0.0 112.895 -170.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -51.61 -44.41 62.85 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.197 0.599 . . . . 0.0 111.278 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -64.12 -38.87 92.61 Favored 'General case' 0 N--CA 1.453 -0.3 0 O-C-N 122.028 -0.42 . . . . 0.0 110.71 177.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.5 tp -64.42 -46.54 82.79 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 179.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -55.92 -52.93 62.37 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.154 0.582 . . . . 0.0 109.861 173.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 67.5 tt0 -51.72 -46.05 63.81 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.009 0.524 . . . . 0.0 110.492 176.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.5 tp -56.99 -59.13 5.51 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 118.833 -0.603 . . . . 0.0 110.288 178.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 46.5 pt -58.85 -36.09 59.5 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 119.16 0.891 . . . . 0.0 111.606 -176.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -61.61 -63.01 1.41 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.062 0.545 . . . . 0.0 110.666 174.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -58.48 -41.63 85.72 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.187 0.595 . . . . 0.0 111.375 -177.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 . . . . . 0 CA--C 1.541 0.632 0 C-N-CA 124.123 0.969 . . . . 0.0 111.371 176.193 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 . . . . . 0 N--CA 1.45 -0.425 0 CA-C-O 117.766 -1.111 . . . . 0.0 111.499 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 81.6 mt -55.88 -52.55 47.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-N 120.803 1.638 . . . . 0.0 109.571 176.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 76.6 t -59.69 -47.28 91.75 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 O-C-N 122.28 -0.262 . . . . 0.0 110.553 179.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -55.53 -47.91 75.52 Favored 'General case' 0 N--CA 1.455 -0.175 0 O-C-N 122.26 -0.275 . . . . 0.0 110.511 179.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 56.6 mt -61.25 -45.17 95.61 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 122.976 0.51 . . . . 0.0 110.313 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 41.5 ttp -56.79 -50.05 73.48 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.147 0.431 . . . . 0.0 110.683 176.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -57.71 -50.79 72.04 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.156 0.582 . . . . 0.0 110.6 178.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -55.31 -45.24 76.32 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.799 1.24 . . . . 0.0 110.671 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.4 tt -57.78 -58.22 9.33 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 173.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -78.94 58.8 2.47 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -176.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 73.7 mtt85 -68.66 -30.95 69.75 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.317 -0.864 . . . . 0.0 108.842 166.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -52.03 -55.28 21.58 Favored 'General case' 0 C--N 1.34 0.162 0 C-N-CA 124.342 1.057 . . . . 0.0 112.332 -175.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 46.0 mttm -100.46 -55.25 2.65 Favored 'General case' 0 C--O 1.232 0.133 0 C-N-CA 122.773 0.429 . . . . 0.0 109.994 -177.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.8 t70 65.15 -64.05 0.18 Allowed 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 128.053 2.541 . . . . 0.0 112.625 175.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -47.36 -37.24 10.82 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 126.761 2.024 . . . . 0.0 111.514 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -142.93 142.33 31.67 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 169.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 57.0 t -93.57 135.71 27.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 N-CA-C 105.566 -2.013 . . . . 0.0 105.566 175.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -90.99 141.24 29.06 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 -179.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -43.8 -45.94 7.54 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.25 1.02 . . . . 0.0 112.277 178.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -58.61 -39.33 80.13 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.349 -0.845 . . . . 0.0 111.279 177.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -68.05 -42.48 80.47 Favored 'General case' 0 C--O 1.224 -0.283 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 176.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -55.37 -50.99 68.25 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 118.335 0.516 . . . . 0.0 110.033 175.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 24.7 mm -61.04 -52.79 57.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 O-C-N 121.875 -0.516 . . . . 0.0 111.402 177.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.9 m -62.87 -33.62 75.66 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.051 -1.03 . . . . 0.0 110.524 -177.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -60.99 -45.86 93.12 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.785 0.834 . . . . 0.0 110.555 171.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.7 tt -51.43 -50.64 59.33 Favored 'General case' 0 C--N 1.342 0.256 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 173.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -46.05 -65.69 1.95 Allowed Glycine 0 CA--C 1.53 1.027 0 C-N-CA 123.695 0.664 . . . . 0.0 112.375 172.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.07 -46.25 71.96 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.545 1.138 . . . . 0.0 112.017 -175.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.9 tp -58.97 -55.82 30.25 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 177.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.63 -37.77 71.19 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 122.904 0.481 . . . . 0.0 112.024 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 80.3 mtp -56.87 -15.25 4.44 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 178.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 31.1 mm -58.16 -31.7 42.56 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 CA-C-N 119.535 1.061 . . . . 0.0 110.219 169.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 51.05 51.99 15.91 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 125.624 1.569 . . . . 0.0 112.03 175.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -41.86 107.67 0.08 Allowed 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.579 1.552 . . . . 0.0 111.485 175.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 56.3 tt0 58.87 40.67 22.45 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.644 0.778 . . . . 0.0 110.553 177.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 51.01 54.04 11.97 Favored 'General case' 0 C--N 1.339 0.151 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -171.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 78.8 mt . . . . . 0 CA--C 1.531 0.232 0 C-N-CA 124.831 1.252 . . . . 0.0 110.848 -172.078 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 27.6 m . . . . . 0 CA--C 1.532 0.251 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_exo -46.37 -53.69 5.67 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 123.563 2.842 . . . . 0.0 113.601 -176.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.8 -45.21 82.35 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 122.142 -0.349 . . . . 0.0 111.446 178.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -62.88 -46.99 85.25 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.205 0.602 . . . . 0.0 110.716 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -57.14 -45.1 83.84 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 174.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.81 -54.36 19.68 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 122.216 -0.303 . . . . 0.0 110.708 -172.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 11.9 tt -58.55 -45.82 90.17 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 177.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.51 -53.89 22.99 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 175.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -56.59 -62.95 1.38 Allowed 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 117.218 0.509 . . . . 0.0 110.751 178.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 pp -62.15 -39.44 92.62 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 119.531 1.059 . . . . 0.0 112.043 -170.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 25.7 mt -65.42 -43.86 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-O 118.986 -0.531 . . . . 0.0 109.652 175.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.99 -53.69 40.55 Favored Glycine 0 CA--C 1.53 1.0 0 CA-C-N 119.279 0.945 . . . . 0.0 111.174 176.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 28.6 mm -54.38 -38.33 40.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 124.192 0.997 . . . . 0.0 110.825 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -66.05 -63.31 1.11 Allowed 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.666 0.745 . . . . 0.0 111.587 171.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -63.52 -22.01 66.65 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 124.869 1.268 . . . . 0.0 112.512 -169.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -60.8 -36.98 80.42 Favored 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 119.804 -0.758 . . . . 0.0 109.662 176.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -81.74 -67.63 0.76 Allowed 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 168.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 49.2 m -77.55 58.84 1.82 Allowed 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.821 2.048 . . . . 0.0 111.838 -168.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -177.94 -65.26 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.451 0 N-CA-C 108.207 -1.957 . . . . 0.0 108.207 -172.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -64.84 -38.06 89.71 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 176.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -74.39 67.13 1.41 Allowed 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 118.143 0.429 . . . . 0.0 110.062 174.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.75 48.66 74.82 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 124.715 1.15 . . . . 0.0 113.306 170.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 21.4 t70 71.76 -55.22 0.67 Allowed 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 126.56 1.944 . . . . 0.0 113.172 175.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -3.99 91.43 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 128.15 2.58 . . . . 0.0 113.899 177.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -76.43 50.23 0.64 Allowed 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 121.664 0.745 . . . . 0.0 110.233 174.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 5.3 t -147.78 145.72 28.9 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 126.27 1.828 . . . . 0.0 107.888 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 59.0 mt -93.24 97.3 10.54 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 105.328 -2.101 . . . . 0.0 105.328 168.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.3 m -92.62 171.82 8.76 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 176.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -43.71 -42.45 5.39 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.22 1.008 . . . . 0.0 111.702 178.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -53.91 -59.8 4.16 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.816 0.846 . . . . 0.0 111.439 173.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 30.1 mp0 -58.48 -42.81 88.39 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.695 -0.628 . . . . 0.0 109.816 -178.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 76.7 mt -58.19 -43.42 87.56 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 119.489 -0.291 . . . . 0.0 110.774 175.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -53.86 -55.01 30.65 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 174.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -56.2 -44.74 79.75 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 117.868 0.304 . . . . 0.0 111.785 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 41.0 tp -56.18 -63.89 1.04 Allowed 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 119.487 -0.292 . . . . 0.0 110.494 175.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 2.3 pp -62.31 -37.92 79.84 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-N 118.572 0.624 . . . . 0.0 110.965 -172.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -50.46 -49.98 53.64 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 124.272 1.029 . . . . 0.0 109.995 170.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp . . . . . 0 N--CA 1.453 -0.294 0 CA-C-N 117.871 0.305 . . . . 0.0 111.814 -179.838 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 46.5 mt . . . . . 0 N--CA 1.456 -0.144 0 N-CA-C 110.453 -0.202 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 34.9 ttp -57.9 -46.04 85.53 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 121.154 0.502 . . . . 0.0 110.58 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -56.53 -56.96 14.79 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 123.383 0.673 . . . . 0.0 110.434 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -62.76 -42.3 99.62 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.982 0.81 . . . . 0.0 110.914 -177.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 64.4 tp -51.57 -46.12 63.35 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 123.912 0.885 . . . . 0.0 110.255 177.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -72.22 -62.57 1.39 Allowed 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 121.235 0.541 . . . . 0.0 111.186 176.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 50.9 tpt85 -53.72 -23.33 11.29 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 126.359 1.864 . . . . 0.0 112.54 -172.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -32.18 -45.59 0.11 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.608 1.563 . . . . 0.0 112.266 168.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -144.38 -166.98 2.51 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 168.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -74.89 58.93 0.87 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.986 1.315 . . . . 0.0 110.308 174.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -94.99 178.08 5.68 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-O 122.821 1.296 . . . . 0.0 110.277 -174.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -140.0 143.34 36.41 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 103.798 -2.668 . . . . 0.0 103.798 168.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 46.7 t -93.02 117.61 36.82 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.084 0 N-CA-C 106.408 -1.701 . . . . 0.0 106.408 -178.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -87.79 157.31 19.06 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.045 -1.034 . . . . 0.0 108.283 -170.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -40.4 -51.58 2.82 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 176.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -65.37 -28.37 69.23 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 120.927 -1.108 . . . . 0.0 111.987 179.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -69.68 -38.78 77.17 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 118.83 0.741 . . . . 0.0 110.2 171.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -59.03 -48.79 80.31 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.323 0.965 . . . . 0.0 109.439 174.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 1.4 mp -60.87 -54.04 40.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 O-C-N 121.84 -0.538 . . . . 0.0 111.619 177.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 31.7 p -65.37 -30.0 70.78 Favored 'General case' 0 CA--C 1.533 0.327 0 O-C-N 120.313 -1.492 . . . . 0.0 110.913 -179.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -61.61 -39.66 92.02 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.679 0.672 . . . . 0.0 110.222 169.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 3.6 tt -54.39 -50.52 67.35 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 171.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -46.34 -54.94 8.15 Favored Glycine 0 CA--C 1.531 1.073 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.692 170.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.61 -48.99 73.99 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.294 1.038 . . . . 0.0 111.402 -178.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 94.1 mt -54.54 -45.61 73.45 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 118.508 0.594 . . . . 0.0 111.553 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.92 -47.59 79.95 Favored 'General case' 0 C--O 1.226 -0.163 0 O-C-N 121.879 -0.513 . . . . 0.0 111.336 171.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.62 -40.42 83.28 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 118.806 0.73 . . . . 0.0 112.158 -177.247 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 12.7 pt -80.57 0.88 3.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-N 118.643 0.656 . . . . 0.0 112.454 174.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 70.47 52.09 0.34 Allowed 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 125.093 1.357 . . . . 0.0 113.277 171.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -50.67 100.93 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.136 0.974 . . . . 0.0 109.226 168.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 46.42 43.53 12.01 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 125.109 1.364 . . . . 0.0 112.034 -171.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 51.86 47.57 24.52 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.393 0.677 . . . . 0.0 111.16 -178.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 10.2 mp . . . . . 0 CA--C 1.533 0.299 0 C-N-CA 124.437 1.095 . . . . 0.0 109.113 -171.352 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 p . . . . . 0 CA--C 1.532 0.279 0 N-CA-C 111.147 0.055 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -56.8 -38.68 95.23 Favored 'Trans proline' 0 N--CA 1.455 -0.765 0 C-N-CA 122.035 1.823 . . . . 0.0 109.733 168.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.7 tp -55.65 -57.64 11.15 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 123.856 0.863 . . . . 0.0 110.411 173.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -55.59 -44.13 76.68 Favored 'General case' 0 C--O 1.226 -0.142 0 O-C-N 122.011 -0.431 . . . . 0.0 110.967 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.53 -43.12 68.11 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 122.535 0.334 . . . . 0.0 110.914 173.196 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.04 -43.87 86.26 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.308 0.504 . . . . 0.0 110.036 -178.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 83.2 mt -55.83 -53.66 35.22 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 173.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.41 -51.93 35.0 Favored Glycine 0 CA--C 1.528 0.88 0 C-N-CA 124.722 1.153 . . . . 0.0 111.359 178.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -53.39 -58.11 8.27 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.789 0.836 . . . . 0.0 109.089 176.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.1 tp -56.05 -55.28 34.75 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.582 0.353 . . . . 0.0 111.455 -176.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 pp -65.17 -34.74 72.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-O 118.94 -0.552 . . . . 0.0 110.558 -176.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.56 -53.32 47.0 Favored Glycine 0 CA--C 1.529 0.908 0 N-CA-C 110.62 -0.992 . . . . 0.0 110.62 172.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.4 mp -53.55 -47.86 59.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 O-C-N 122.297 -0.531 . . . . 0.0 109.747 174.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -61.56 -51.97 66.37 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.753 0.706 . . . . 0.0 111.1 -177.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -44.1 -51.67 7.8 Favored 'General case' 0 CA--C 1.528 0.096 0 C-N-CA 125.181 1.393 . . . . 0.0 110.075 172.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -66.46 -57.98 6.22 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -174.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -56.84 -40.28 75.77 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.1 0.96 . . . . 0.0 111.232 -173.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 74.5 m -49.78 -23.13 1.67 Allowed 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 114.325 1.231 . . . . 0.0 114.325 173.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -26.5 -53.57 0.07 OUTLIER Glycine 0 CA--C 1.535 1.307 0 C-N-CA 126.751 2.119 . . . . 0.0 116.426 -172.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -59.34 -37.97 79.19 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 117.998 0.899 . . . . 0.0 111.855 -177.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -81.99 -41.62 20.49 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.245 1.018 . . . . 0.0 109.567 173.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.98 -84.45 0.11 Allowed Glycine 0 CA--C 1.525 0.692 0 C-N-CA 125.23 1.395 . . . . 0.0 112.576 169.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -66.41 -67.93 0.41 Allowed 'General case' 0 N--CA 1.457 -0.092 0 C-N-CA 123.484 0.713 . . . . 0.0 110.002 -170.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -80.12 65.24 5.2 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 176.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -52.71 93.77 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 126.745 2.018 . . . . 0.0 112.024 -175.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.9 p -138.51 168.29 20.09 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 126.182 1.793 . . . . 0.0 107.078 -178.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 46.5 tp -93.19 83.04 4.57 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 105.873 -1.899 . . . . 0.0 105.873 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.7 t -94.4 171.65 8.68 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 122.007 0.908 . . . . 0.0 110.629 -177.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -52.67 -35.76 55.8 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.569 1.147 . . . . 0.0 110.66 178.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.3 mtmt -55.16 -53.86 50.65 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.113 0.565 . . . . 0.0 110.958 172.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.7 mp0 -58.74 -48.42 81.23 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 178.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 59.2 mt -56.17 -49.69 73.31 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.481 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -54.97 -52.62 62.51 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.208 0.603 . . . . 0.0 109.993 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -58.87 -39.51 81.59 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.864 177.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.1 tp -63.49 -57.59 9.73 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 121.636 -0.665 . . . . 0.0 110.101 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.2 pt -56.46 -46.11 82.11 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 118.156 0.435 . . . . 0.0 110.346 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -50.33 -56.34 11.7 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.978 0.911 . . . . 0.0 110.486 175.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -75.4 -38.86 59.67 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -169.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 . . . . . 0 CA--C 1.534 0.363 0 CA-C-N 119.516 1.053 . . . . 0.0 110.148 173.199 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 . . . . . 0 CA--C 1.536 0.414 0 CA-C-O 117.905 -1.045 . . . . 0.0 111.923 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.7 pt -61.13 -46.43 96.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 117.188 -1.805 . . . . 0.0 110.487 -176.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 38.2 t -51.69 -53.52 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 C-N-CA 125.528 1.531 . . . . 0.0 109.751 173.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -55.09 -48.76 73.12 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 118.742 0.701 . . . . 0.0 110.661 -178.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 62.2 mt -63.1 -52.55 62.19 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 117.828 0.286 . . . . 0.0 110.637 -178.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 70.3 mtp -57.31 -46.97 82.68 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.487 0.715 . . . . 0.0 110.179 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -61.2 -49.5 76.92 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.819 1.247 . . . . 0.0 110.793 178.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -53.05 -54.37 36.41 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 118.397 0.544 . . . . 0.0 110.326 175.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 73.8 mt -55.65 -47.59 76.41 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 122.244 0.217 . . . . 0.0 110.679 178.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -62.78 -44.26 96.64 Favored 'General case' 0 C--O 1.224 -0.257 0 C-N-CA 123.308 0.643 . . . . 0.0 112.354 -178.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -72.55 -30.5 64.49 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 122.649 0.38 . . . . 0.0 110.018 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -64.83 -61.53 2.12 Favored 'General case' 0 N--CA 1.458 -0.069 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 173.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -82.66 64.44 7.29 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 175.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -57.06 66.59 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 127.292 2.237 . . . . 0.0 115.658 -167.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -148.05 -92.45 0.08 Allowed 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 126.574 1.949 . . . . 0.0 107.078 175.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -146.78 160.04 42.75 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 127.422 2.289 . . . . 0.0 106.022 173.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 96.0 t -93.91 133.16 35.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 172.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -90.28 153.12 20.7 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 -175.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -44.23 -50.3 8.89 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -59.66 -38.16 80.71 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 121.61 -0.681 . . . . 0.0 110.249 -178.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -67.35 -41.04 85.83 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -59.06 -43.5 91.74 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 176.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.3 mp -59.88 -47.35 91.86 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 O-C-N 121.915 -0.49 . . . . 0.0 111.408 174.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.3 p -61.75 -37.46 84.33 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 120.603 -1.31 . . . . 0.0 111.115 177.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -59.66 -44.0 93.74 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.124 0.42 . . . . 0.0 110.522 171.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 tt -53.06 -51.91 60.23 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 176.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -51.8 -56.57 15.47 Favored Glycine 0 CA--C 1.526 0.755 0 CA-C-O 119.752 -0.471 . . . . 0.0 112.357 173.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.47 -49.94 66.38 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.044 0.937 . . . . 0.0 111.553 -176.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.1 tp -64.31 -55.77 19.07 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 121.891 0.853 . . . . 0.0 109.74 177.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.92 -33.83 76.17 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 118.872 -0.585 . . . . 0.0 112.239 -169.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 22.4 ptp -64.02 -45.89 86.9 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 119.654 1.116 . . . . 0.0 111.398 -178.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 6.0 tp -64.23 -47.98 87.53 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 176.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -50.97 -48.31 61.12 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.688 1.195 . . . . 0.0 110.979 179.042 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.68 63.15 1.11 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.424 1.489 . . . . 0.0 109.252 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 53.44 33.58 16.28 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.419 1.088 . . . . 0.0 112.951 173.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 50.84 32.1 6.83 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.56 0.618 . . . . 0.0 112.365 -173.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 79.7 mt . . . . . 0 CA--C 1.533 0.309 0 C-N-CA 125.305 1.442 . . . . 0.0 111.832 -170.128 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 33.8 p . . . . . 0 CA--C 1.542 0.667 0 N-CA-C 115.319 1.6 . . . . 0.0 115.319 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -47.84 -42.93 30.43 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.641 2.894 . . . . 0.0 112.819 175.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 86.3 mt -52.31 -50.57 61.95 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 122.789 0.436 . . . . 0.0 110.213 173.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -65.29 -36.88 85.42 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 118.914 -0.565 . . . . 0.0 111.257 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -55.63 -45.72 77.53 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.745 0.702 . . . . 0.0 109.723 171.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.97 -51.14 70.95 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 122.214 -0.304 . . . . 0.0 110.825 178.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 39.8 mm -50.87 -54.03 11.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 175.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.72 -55.39 11.29 Favored Glycine 0 CA--C 1.523 0.569 0 C-N-CA 126.066 1.794 . . . . 0.0 111.491 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 66.5 mt -53.35 -54.63 33.8 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 117.043 0.422 . . . . 0.0 109.979 176.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 44.9 mt -57.88 -52.64 64.65 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 119.444 -0.313 . . . . 0.0 111.758 -175.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 21.5 pt -64.8 -43.19 96.44 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.218 0 CA-C-N 118.18 0.445 . . . . 0.0 110.441 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.59 -56.1 26.39 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 110.581 -1.008 . . . . 0.0 110.581 178.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 81.3 mt -55.19 -47.66 77.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 C-N-CA 123.397 0.679 . . . . 0.0 109.584 179.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -56.56 -56.82 16.45 Favored 'General case' 0 N--CA 1.457 -0.109 0 CA-C-O 121.111 0.481 . . . . 0.0 110.862 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -58.83 -30.98 68.06 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.821 1.248 . . . . 0.0 111.195 -178.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -57.13 -47.13 81.87 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 118.5 0.591 . . . . 0.0 110.445 -178.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -80.48 -56.64 4.04 Favored 'General case' 0 N--CA 1.457 -0.098 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 173.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 15.4 t -55.33 -27.61 48.28 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.591 0.756 . . . . 0.0 112.641 -171.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -45.45 -34.25 4.77 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 124.552 1.072 . . . . 0.0 113.347 170.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -59.99 -40.39 89.04 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.441 1.121 . . . . 0.0 111.399 175.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -76.91 -31.61 56.82 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.406 0.682 . . . . 0.0 109.427 174.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.69 -85.15 0.2 Allowed Glycine 0 C--N 1.335 0.497 0 C-N-CA 125.359 1.457 . . . . 0.0 111.589 168.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -78.29 -48.2 16.21 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.635 1.174 . . . . 0.0 109.654 -179.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -80.06 60.05 3.47 Favored 'General case' 0 CA--C 1.528 0.105 0 N-CA-C 107.321 -1.362 . . . . 0.0 107.321 174.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -66.88 75.45 0.11 Allowed 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 126.002 1.721 . . . . 0.0 112.336 -166.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 50.2 p -132.59 170.91 14.51 Favored 'General case' 0 N--CA 1.437 -1.077 0 C-N-CA 128.008 2.523 . . . . 0.0 106.642 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 97.0 mt -99.97 173.15 6.8 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 125.182 1.393 . . . . 0.0 107.346 168.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 65.6 p -145.93 162.3 38.08 Favored 'General case' 0 N--CA 1.453 -0.295 0 O-C-N 121.321 -0.862 . . . . 0.0 109.741 177.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -53.02 -35.65 59.66 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 169.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -58.42 -57.58 12.32 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.454 0.702 . . . . 0.0 109.812 175.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -57.22 -42.11 80.75 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.944 -0.472 . . . . 0.0 111.508 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 8.4 mp -57.61 -46.55 83.95 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.727 -0.608 . . . . 0.0 110.543 173.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -58.59 -41.12 85.04 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.093 -1.004 . . . . 0.0 111.085 173.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -54.83 -43.18 72.78 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 119.586 1.084 . . . . 0.0 110.742 173.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 56.2 tp -56.64 -51.74 67.54 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.059 0.845 . . . . 0.0 111.11 172.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -59.5 -41.59 85.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 C-N-CA 119.383 -0.927 . . . . 0.0 110.976 -177.226 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -66.91 -33.65 76.06 Favored 'General case' 0 CA--C 1.533 0.289 0 O-C-N 121.962 -0.461 . . . . 0.0 111.662 176.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt . . . . . 0 CA--C 1.532 0.264 0 CA-C-N 118.425 0.557 . . . . 0.0 109.893 173.517 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 54.9 tp . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 11.2 ttt -62.87 -37.91 88.75 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 122.99 0.516 . . . . 0.0 110.978 -176.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -56.72 -63.56 1.16 Allowed 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 122.713 0.405 . . . . 0.0 110.209 173.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -59.48 -50.95 71.93 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.443 0.697 . . . . 0.0 110.17 -174.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 52.7 tp -66.86 -46.64 74.4 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.903 0.881 . . . . 0.0 111.179 -174.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -118.19 -69.21 0.86 Allowed 'General case' 0 CA--C 1.521 -0.17 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -169.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.41 -22.94 34.91 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -167.166 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -55.29 -37.93 67.97 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 118.365 0.529 . . . . 0.0 111.617 174.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -114.29 -45.11 3.06 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 124.014 0.926 . . . . 0.0 111.524 -176.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -77.2 75.72 3.76 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 124.358 1.063 . . . . 0.0 109.311 -175.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -44.44 -51.19 8.93 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.965 1.306 . . . . 0.0 109.93 173.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.34 125.15 50.66 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 126.322 1.849 . . . . 0.0 106.062 169.546 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 88.6 t -102.68 117.03 47.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 C-N-CA 125.87 1.668 . . . . 0.0 106.809 -179.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -89.68 156.59 18.46 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 121.524 -0.735 . . . . 0.0 109.542 -171.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -47.86 -42.8 27.5 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.929 -0.482 . . . . 0.0 112.042 175.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -48.74 -47.79 41.25 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 121.854 -0.529 . . . . 0.0 110.971 172.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -66.14 -41.11 90.88 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 118.973 -0.537 . . . . 0.0 110.112 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -55.84 -51.41 67.61 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.851 0.751 . . . . 0.0 110.105 175.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 40.2 mm -58.24 -53.19 49.44 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-O 121.123 0.487 . . . . 0.0 110.84 177.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 23.7 m -62.52 -37.06 84.61 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.706 -0.621 . . . . 0.0 110.033 -175.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -61.09 -44.21 97.71 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.928 1.291 . . . . 0.0 109.943 173.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.11 -50.24 64.84 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 173.288 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -47.11 -59.18 5.84 Favored Glycine 0 CA--C 1.528 0.884 0 C-N-CA 123.882 0.754 . . . . 0.0 111.823 172.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.44 -45.62 76.81 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 124.425 1.09 . . . . 0.0 111.922 -176.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.42 -57.89 10.81 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 175.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.86 -39.36 65.6 Favored 'General case' 0 CA--C 1.529 0.151 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -176.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 27.0 ttt -50.53 -18.62 0.7 Allowed 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.658 1.583 . . . . 0.0 113.713 178.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -50.15 -38.25 14.76 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 CA-C-N 119.327 0.967 . . . . 0.0 110.377 169.711 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 46.79 66.83 0.89 Allowed 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 125.142 1.377 . . . . 0.0 112.522 174.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -36.73 100.22 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.597 1.559 . . . . 0.0 112.913 178.235 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 57.36 49.91 12.33 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.062 0.945 . . . . 0.0 110.258 -179.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 50.61 48.87 21.93 Favored 'General case' 0 C--O 1.226 -0.178 0 C-N-CA 124.046 0.938 . . . . 0.0 109.501 -171.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 95.1 mt . . . . . 0 CA--C 1.537 0.445 0 C-N-CA 124.409 1.084 . . . . 0.0 112.087 -170.646 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 CA--C 1.538 0.515 0 CA-C-O 118.56 -0.733 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_endo -77.73 40.44 0.86 Allowed 'Trans proline' 0 CA--C 1.538 0.699 0 C-N-CA 122.627 2.218 . . . . 0.0 113.776 -169.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.5 mp -65.64 -60.62 2.73 Favored 'General case' 0 N--CA 1.456 -0.131 0 O-C-N 120.956 -1.09 . . . . 0.0 108.598 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -58.46 -38.77 78.21 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.104 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -56.68 -46.73 80.97 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 173.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.02 -51.56 67.52 Favored 'General case' 0 C--O 1.231 0.108 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -179.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 48.0 mm -53.13 -54.58 16.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 177.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.63 -54.87 30.23 Favored Glycine 0 CA--C 1.525 0.702 0 C-N-CA 124.28 0.943 . . . . 0.0 111.352 -178.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.82 -51.84 66.08 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.7 tp -56.69 -57.24 13.27 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.448 0.699 . . . . 0.0 111.264 -176.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.5 tp -63.71 -41.06 91.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 O-C-N 121.795 -0.566 . . . . 0.0 109.791 -176.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.03 -55.57 29.59 Favored Glycine 0 CA--C 1.528 0.859 0 N-CA-C 111.585 -0.606 . . . . 0.0 111.585 177.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.3 tt -67.21 -34.08 67.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 O-C-N 121.504 -0.998 . . . . 0.0 110.583 -176.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -58.46 -53.89 53.2 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 118.708 0.686 . . . . 0.0 110.98 171.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -50.44 -45.16 55.73 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 123.732 0.813 . . . . 0.0 110.114 174.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -66.85 -54.66 20.14 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -175.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -61.73 -40.08 93.84 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.016 0.526 . . . . 0.0 110.625 -174.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.9 m -63.13 -65.85 0.63 Allowed 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 170.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -50.94 -34.45 30.52 Favored Glycine 0 CA--C 1.527 0.797 0 C-N-CA 125.942 1.734 . . . . 0.0 113.723 -171.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.3 ttpp -40.1 -38.91 0.8 Allowed 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 125.286 1.434 . . . . 0.0 112.842 172.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -152.55 -39.65 0.11 Allowed 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.342 0.519 . . . . 0.0 111.551 -173.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.49 84.33 0.44 Allowed Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 109.769 -1.332 . . . . 0.0 109.769 174.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -51.42 -37.19 47.23 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.771 0.828 . . . . 0.0 111.653 170.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -57.21 -15.88 6.86 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.139 1.376 . . . . 0.0 112.555 173.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 64.65 42.74 4.59 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.489 1.516 . . . . 0.0 110.928 175.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.8 p -138.98 170.78 15.36 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 127.584 2.354 . . . . 0.0 104.826 169.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.7 tt -92.05 94.19 9.12 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 105.801 -1.925 . . . . 0.0 105.801 -177.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 85.1 p -91.05 170.69 9.82 Favored 'General case' 0 C--N 1.331 -0.197 0 O-C-N 121.669 -0.644 . . . . 0.0 109.952 -172.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -44.0 -37.12 2.79 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.038 0.935 . . . . 0.0 112.618 -177.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -62.6 -52.84 61.78 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.913 -0.492 . . . . 0.0 110.832 176.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -61.98 -37.47 84.94 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 121.637 -0.665 . . . . 0.0 110.18 178.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.6 tp -61.81 -46.69 88.41 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 122.802 0.441 . . . . 0.0 110.125 175.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -56.67 -48.6 77.26 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 122.98 0.512 . . . . 0.0 109.896 175.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -55.39 -42.69 74.36 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 122.293 -0.254 . . . . 0.0 110.915 174.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 39.5 tp -63.37 -48.32 78.42 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 -178.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 76.7 mt -54.75 -51.08 55.31 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 C-N-CA 123.607 0.763 . . . . 0.0 109.257 175.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.0 tm0? -53.32 -49.03 67.89 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.359 0.664 . . . . 0.0 109.885 178.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -60.86 -53.34 58.46 Favored 'General case' 0 N--CA 1.452 -0.355 0 O-C-N 121.791 -0.568 . . . . 0.0 110.566 -178.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 . . . . . 0 CA--C 1.534 0.348 0 O-C-N 122.163 -0.336 . . . . 0.0 111.223 177.793 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 . . . . . 0 N--CA 1.448 -0.548 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.8 mm -58.91 -45.64 91.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-N 119.789 1.177 . . . . 0.0 110.43 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 68.9 t -57.33 -51.33 70.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 123.866 0.866 . . . . 0.0 109.535 176.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -56.56 -44.81 81.34 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 118.341 0.519 . . . . 0.0 111.316 178.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 29.5 tp -61.73 -49.21 77.34 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.43 1.092 . . . . 0.0 110.171 -178.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.8 mmt -62.31 -40.5 96.52 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.025 0.53 . . . . 0.0 110.678 177.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -59.67 -47.62 84.89 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 118.291 0.496 . . . . 0.0 110.155 172.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -54.09 -48.59 70.51 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.047 0.539 . . . . 0.0 110.826 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 39.7 mt -56.61 -57.84 10.66 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 120.886 0.374 . . . . 0.0 110.324 171.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -74.63 70.75 1.85 Allowed 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.965 0.906 . . . . 0.0 111.047 -177.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.78 57.6 1.31 Allowed 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 169.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 67.02 -38.73 0.34 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 127.38 2.272 . . . . 0.0 113.189 -169.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -74.67 49.59 0.4 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.974 0.91 . . . . 0.0 112.137 176.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -47.92 -38.07 15.72 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 122.425 1.107 . . . . 0.0 109.879 169.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -54.42 -49.25 70.39 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 127.141 2.176 . . . . 0.0 110.91 178.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -142.42 97.13 3.06 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.918 1.687 . . . . 0.0 111.288 -177.105 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 50.8 t -90.32 109.97 21.43 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 104.796 -2.298 . . . . 0.0 104.796 178.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -93.03 169.48 10.39 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.746 -167.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -50.54 -45.55 56.94 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.824 0.675 . . . . 0.0 112.824 -170.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -59.22 -35.87 74.41 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.268 -0.895 . . . . 0.0 111.445 177.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -72.87 -40.13 65.88 Favored 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 121.772 -0.58 . . . . 0.0 109.549 177.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -56.02 -46.55 78.75 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.285 0.564 . . . . 0.0 110.62 172.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 13.2 mm -56.54 -51.29 67.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 C-N-CA 123.55 0.74 . . . . 0.0 110.011 174.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.7 m -55.15 -42.17 72.76 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.714 -0.616 . . . . 0.0 110.555 177.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -58.24 -42.5 86.5 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.314 1.045 . . . . 0.0 111.26 174.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.3 tt -53.36 -53.24 53.9 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 173.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.16 -53.82 21.8 Favored Glycine 0 CA--C 1.525 0.697 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.656 176.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.02 -55.82 28.26 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 117.418 0.609 . . . . 0.0 110.923 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.86 -53.86 35.7 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.377 1.071 . . . . 0.0 109.636 -179.241 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.82 -45.78 89.2 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.321 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 26.5 ttt -62.24 -38.71 90.29 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.768 -0.582 . . . . 0.0 110.813 179.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.4 mp -58.57 -41.18 81.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 124.18 0.992 . . . . 0.0 109.553 173.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -73.64 55.15 0.5 Allowed 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 118.915 0.78 . . . . 0.0 110.403 169.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -63.65 -35.07 79.33 Favored 'General case' 0 N--CA 1.456 -0.125 0 O-C-N 121.235 -0.915 . . . . 0.0 111.735 -169.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -51.24 -55.91 15.69 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.777 0.831 . . . . 0.0 109.572 170.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.18 -36.59 84.69 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 122.013 -0.429 . . . . 0.0 110.271 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 14.2 tp . . . . . 0 CA--C 1.533 0.318 0 CA-C-O 119.43 -0.319 . . . . 0.0 110.853 176.745 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 19.1 m . . . . . 0 CA--C 1.539 0.534 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -55.18 -36.44 93.2 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 123.031 2.487 . . . . 0.0 111.813 175.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 54.3 tp -53.18 -52.13 59.82 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.878 -0.514 . . . . 0.0 110.165 171.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -63.59 -40.49 97.07 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 122.266 -0.271 . . . . 0.0 110.631 -177.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -55.42 -45.4 76.76 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 171.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.3 -47.59 85.28 Favored 'General case' 0 C--O 1.236 0.356 0 O-C-N 121.948 -0.47 . . . . 0.0 110.878 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 44.1 mm -50.94 -51.46 20.71 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 171.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.25 -54.08 10.59 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 125.347 1.451 . . . . 0.0 112.207 176.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 87.8 mt -58.47 -55.51 34.11 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 117.781 0.791 . . . . 0.0 110.245 179.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -59.2 -54.59 45.18 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.197 0.522 . . . . 0.0 110.463 -174.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 7.3 tt -61.3 -39.97 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.14 -47.78 66.0 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 123.924 0.773 . . . . 0.0 111.377 174.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 40.3 mt -59.58 -54.78 29.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 O-C-N 121.874 -0.78 . . . . 0.0 109.195 175.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -60.19 -27.77 67.41 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 121.566 0.698 . . . . 0.0 112.433 -177.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 48.0 t60 -56.37 -30.1 62.25 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 123.912 0.885 . . . . 0.0 111.026 177.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -54.86 -43.52 73.17 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.647 0.658 . . . . 0.0 110.452 176.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -77.61 -49.75 13.94 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 4.1 m -51.81 -37.85 53.39 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.268 0.627 . . . . 0.0 111.883 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.6 -22.61 40.07 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 125.375 1.464 . . . . 0.0 113.275 -179.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -63.65 -22.75 67.07 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.952 1.376 . . . . 0.0 111.293 174.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 74.8 -56.68 0.63 Allowed 'General case' 0 C--N 1.34 0.191 0 C-N-CA 126.234 1.814 . . . . 0.0 110.873 174.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.1 -30.62 47.2 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 123.955 0.788 . . . . 0.0 112.204 177.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -64.98 -17.36 64.36 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.288 0.635 . . . . 0.0 112.637 176.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 25.2 mtmm 72.98 -66.25 0.32 Allowed 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 127.284 2.233 . . . . 0.0 110.334 -175.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -179.06 54.61 0.01 OUTLIER 'General case' 0 C--O 1.234 0.248 0 C-N-CA 126.641 1.976 . . . . 0.0 106.783 -178.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 16.9 p -140.92 151.63 44.37 Favored 'General case' 0 N--CA 1.442 -0.826 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 -174.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 5.1 tt -94.17 97.98 10.65 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 104.066 -2.568 . . . . 0.0 104.066 168.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.85 166.0 13.31 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.992 0.917 . . . . 0.0 108.905 -170.551 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 6.0 tmtp? -50.39 -41.04 51.4 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 119.237 0.926 . . . . 0.0 112.083 -174.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -58.02 -41.36 82.98 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.83 -0.544 . . . . 0.0 111.468 174.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -71.15 -36.4 72.03 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.862 0.865 . . . . 0.0 110.195 178.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 tt -58.71 -50.03 75.42 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 172.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.33 -46.44 86.21 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.26 0.624 . . . . 0.0 110.968 175.541 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -53.82 -53.83 46.87 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 122.968 0.507 . . . . 0.0 110.045 176.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 66.8 tp -56.96 -49.3 76.13 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.657 0.783 . . . . 0.0 110.461 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 29.0 mt -50.65 -53.54 12.71 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.151 0 C-N-CA 123.268 0.627 . . . . 0.0 109.53 173.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -53.93 -52.2 61.38 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.066 0.546 . . . . 0.0 110.478 -179.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt . . . . . 0 N--CA 1.452 -0.363 0 CA-C-N 118.006 0.366 . . . . 0.0 111.928 178.065 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 54.9 tp . . . . . 0 N--CA 1.45 -0.43 0 CA-C-O 119.324 -0.369 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 21.4 ptt? -58.75 -44.42 90.56 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.089 0.404 . . . . 0.0 110.269 -175.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -57.92 -57.23 13.72 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 122.743 0.417 . . . . 0.0 110.671 177.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -64.97 -35.39 81.02 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 122.428 0.291 . . . . 0.0 111.466 -175.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.56 -48.5 69.43 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.108 0.963 . . . . 0.0 110.214 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -69.28 79.95 0.36 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 122.614 0.366 . . . . 0.0 111.53 -173.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -72.09 66.57 0.62 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.723 0.809 . . . . 0.0 109.125 172.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 68.14 -55.27 0.51 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 126.845 2.058 . . . . 0.0 113.646 -177.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 55.5 mttm -77.4 63.9 2.66 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.032 0.933 . . . . 0.0 112.073 -169.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -46.9 -41.37 15.8 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.338 1.055 . . . . 0.0 112.561 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 9.7 tp60 -49.67 -57.36 7.37 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 123.423 0.689 . . . . 0.0 110.894 179.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -150.44 126.98 10.82 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.822 167.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 35.0 m -93.91 138.85 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 N-CA-C 106.167 -1.79 . . . . 0.0 106.167 169.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -88.65 159.61 17.77 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 -169.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -43.85 -44.45 6.9 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 178.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -58.51 -39.38 79.92 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.321 -0.862 . . . . 0.0 112.141 176.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -72.37 -39.91 67.68 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.436 -0.79 . . . . 0.0 110.18 178.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -56.22 -46.41 79.51 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 121.289 0.566 . . . . 0.0 110.003 170.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 10.2 mm -59.1 -46.54 91.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 C-N-CA 123.502 0.721 . . . . 0.0 110.014 175.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 28.6 m -58.17 -41.84 84.72 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.061 -1.024 . . . . 0.0 110.723 175.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -56.87 -44.45 82.24 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.905 0.882 . . . . 0.0 110.607 172.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.91 -50.64 65.93 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 172.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -45.72 -59.05 5.08 Favored Glycine 0 CA--C 1.523 0.564 0 C-N-CA 123.987 0.803 . . . . 0.0 111.573 174.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.7 -51.83 67.3 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 117.959 0.879 . . . . 0.0 111.44 178.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 63.4 tp -55.87 -34.76 65.77 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 125.026 1.33 . . . . 0.0 111.504 -177.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.25 -47.74 15.39 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.464 0.705 . . . . 0.0 111.232 174.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 48.0 ttm -52.23 -34.62 46.65 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 126.526 1.93 . . . . 0.0 112.464 -173.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 20.5 pt -57.73 -29.44 34.96 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 176.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -78.91 55.97 1.85 Allowed 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 119.866 1.212 . . . . 0.0 107.922 169.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -56.66 -34.33 67.24 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 -165.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -49.65 -39.11 35.0 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.561 0.745 . . . . 0.0 111.669 174.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -77.1 -22.99 51.9 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 122.921 0.488 . . . . 0.0 111.776 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 4.8 tt . . . . . 0 CA--C 1.529 0.146 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 174.962 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 CA--C 1.534 0.335 0 CA-C-O 117.594 -1.193 . . . . 0.0 114.06 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -58.45 -53.98 3.46 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 122.312 2.008 . . . . 0.0 111.246 -175.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 83.0 mt -58.09 -50.5 73.24 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -58.79 -55.03 40.38 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.534 0.734 . . . . 0.0 111.8 -176.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -63.3 -34.2 77.18 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.085 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.73 -60.32 3.46 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-N 118.308 0.504 . . . . 0.0 110.043 178.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.4 tt -60.42 -44.66 96.64 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -178.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.94 -53.75 32.11 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 176.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 51.2 tp -59.71 -51.94 67.61 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 117.195 0.497 . . . . 0.0 110.328 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 73.5 mt -55.17 -55.26 33.21 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 122.443 0.297 . . . . 0.0 111.065 -179.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 55.4 mt -55.0 -56.35 11.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 178.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -51.55 -55.73 18.71 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 111.45 -0.66 . . . . 0.0 111.45 -177.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 21.2 mm -56.68 -53.12 45.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 O-C-N 122.496 -0.414 . . . . 0.0 109.95 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -64.09 -46.36 84.61 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 117.904 0.32 . . . . 0.0 111.793 -173.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 57.6 t60 -49.95 -51.58 40.23 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 125.321 1.448 . . . . 0.0 109.873 170.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -55.32 18.05 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -172.385 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -48.82 -66.98 0.31 Allowed 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 126.553 1.941 . . . . 0.0 110.272 176.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -64.58 -39.46 93.77 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.752 0.311 . . . . 0.0 110.658 -174.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.28 -60.8 7.27 Favored Glycine 0 C--N 1.336 0.54 0 C-N-CA 124.35 0.976 . . . . 0.0 111.301 178.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -58.9 -43.95 91.13 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 117.078 0.439 . . . . 0.0 110.978 -179.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -67.59 -40.48 84.81 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -175.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -177.36 45.64 0.1 OUTLIER Glycine 0 CA--C 1.524 0.643 0 CA-C-O 119.173 -0.793 . . . . 0.0 113.717 178.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.7 t70 66.97 -66.35 0.19 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.23 1.812 . . . . 0.0 114.085 170.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -52.51 125.81 17.52 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 125.039 1.336 . . . . 0.0 110.24 -171.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -79.45 61.4 3.48 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 121.556 0.694 . . . . 0.0 109.201 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 46.1 p -143.21 142.97 31.57 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 105.501 -2.037 . . . . 0.0 105.501 -174.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.4 tt -88.45 83.12 6.85 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 103.707 -2.701 . . . . 0.0 103.707 -174.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.63 174.18 7.32 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 126.694 1.998 . . . . 0.0 108.978 -170.708 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -48.13 -43.67 31.38 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.72 -0.613 . . . . 0.0 112.648 -170.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -56.56 -56.84 16.24 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.08 0.552 . . . . 0.0 110.584 175.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 55.4 mp0 -53.5 -46.04 69.89 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.621 1.168 . . . . 0.0 110.034 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.6 tt -60.26 -51.51 69.26 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 122.975 0.51 . . . . 0.0 109.872 178.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.3 ttmm -53.49 -48.47 68.92 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 123.231 0.612 . . . . 0.0 110.343 178.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -59.13 -50.6 73.45 Favored 'General case' 0 N--CA 1.454 -0.247 0 O-C-N 121.782 -0.574 . . . . 0.0 109.697 177.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 55.8 tp -52.38 -56.27 16.07 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 122.864 0.465 . . . . 0.0 110.553 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 33.8 pt -60.6 -43.05 93.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.494 -176.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -55.34 -51.68 65.96 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 118.987 0.812 . . . . 0.0 111.171 175.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -55.85 -47.13 77.82 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.437 0.295 . . . . 0.0 110.936 178.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 118.726 -0.654 . . . . 0.0 112.071 177.38 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 . . . . . 0 N--CA 1.448 -0.561 0 CA-C-O 118.74 -0.647 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . 0.256 0.9 OUTLIER -58.97 -37.33 66.81 Favored 'Isoleucine or valine' 0 C--N 1.345 0.41 0 C-N-CA 118.564 -1.255 . . . . 0.0 111.928 -171.263 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 34.2 m -61.26 -39.76 83.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-N 119.024 0.829 . . . . 0.0 110.874 177.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? -67.23 -47.84 69.6 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.5 mp -59.81 -48.32 82.16 Favored 'General case' 0 C--O 1.225 -0.199 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 178.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.7 tpt -51.69 -55.23 20.71 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.373 1.069 . . . . 0.0 110.006 174.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -52.96 -52.28 58.6 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.204 0.602 . . . . 0.0 111.002 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -57.03 -55.16 38.34 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 122.649 0.38 . . . . 0.0 111.131 178.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 60.0 mt -53.41 -42.17 66.72 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.198 0.599 . . . . 0.0 110.447 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -59.38 -21.78 60.4 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 -179.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 58.9 mmt-85 -41.97 -39.29 1.84 Allowed 'General case' 0 C--N 1.344 0.349 0 C-N-CA 125.31 1.444 . . . . 0.0 114.493 -170.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.4 50.15 0.51 Allowed 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.407 1.003 . . . . 0.0 111.78 174.566 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? 37.89 36.85 0.11 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 128.349 2.66 . . . . 0.0 114.628 -177.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -175.8 140.53 0.44 Allowed 'General case' 0 CA--C 1.523 -0.095 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.82 38.97 0.27 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.373 1.069 . . . . 0.0 112.138 -178.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -143.13 131.47 22.13 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 106.23 -1.767 . . . . 0.0 106.23 177.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.4 t -120.9 139.85 46.88 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 C-N-CA 123.34 0.656 . . . . 0.0 110.053 -170.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -92.24 155.97 17.61 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 124.096 0.958 . . . . 0.0 109.798 -175.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -38.26 -62.41 0.58 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.392 1.477 . . . . 0.0 113.946 -174.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -60.75 -31.88 71.19 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 121.055 -1.028 . . . . 0.0 110.331 -176.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -77.73 -28.22 50.75 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 121.542 -0.724 . . . . 0.0 110.131 179.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -66.04 -46.43 77.86 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 171.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.5 mp -56.78 -49.07 79.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 O-C-N 122.111 -0.368 . . . . 0.0 110.193 171.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 30.1 m -61.18 -37.5 83.16 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 120.862 -1.149 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -58.36 -44.06 88.65 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.072 0.949 . . . . 0.0 110.677 171.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.2 tt -54.2 -51.58 63.96 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 171.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -46.16 -54.98 7.92 Favored Glycine 0 C--O 1.222 -0.632 0 CA-C-O 119.094 -0.837 . . . . 0.0 111.996 175.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.06 -56.19 22.57 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 118.153 0.977 . . . . 0.0 110.598 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 96.6 mt -52.21 -52.36 52.71 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 122.773 0.429 . . . . 0.0 110.818 -178.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.72 -48.98 76.88 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 120.624 0.25 . . . . 0.0 111.089 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 16.6 tmm? -56.5 -44.66 80.93 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 124.824 1.25 . . . . 0.0 111.022 -175.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 26.6 pt -60.82 -13.22 6.53 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 119.785 -0.766 . . . . 0.0 112.714 178.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -91.33 25.65 2.49 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.296 0.953 . . . . 0.0 111.486 170.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -45.14 -35.32 3.1 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.808 1.243 . . . . 0.0 112.198 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.4 mp0 -50.7 -38.62 48.14 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.352 1.061 . . . . 0.0 111.584 177.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.15 -36.18 81.06 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.739 0.416 . . . . 0.0 111.031 176.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 46.3 mt . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 176.563 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 CA--C 1.535 0.367 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_exo -44.75 -45.93 13.06 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 123.893 3.062 . . . . 0.0 114.064 -178.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 86.2 mt -58.22 -41.72 84.7 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.976 -0.452 . . . . 0.0 111.336 177.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -67.44 -43.94 79.9 Favored 'General case' 0 CA--C 1.521 -0.171 0 O-C-N 121.819 -0.55 . . . . 0.0 109.692 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 14.4 tp60 -56.69 -42.77 79.65 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 174.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.76 -52.47 63.08 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 122.897 0.479 . . . . 0.0 109.861 -178.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 61.8 mt -49.06 -58.04 1.43 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 123.808 0.843 . . . . 0.0 109.106 174.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.26 -51.63 20.22 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 124.057 0.837 . . . . 0.0 111.489 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 5.6 tt -62.17 -54.72 36.99 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 122.405 -0.468 . . . . 0.0 110.496 -177.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 pp -64.35 -41.39 96.78 Favored 'General case' 0 C--O 1.237 0.412 0 O-C-N 122.02 -0.425 . . . . 0.0 111.961 -173.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 10.8 pt -66.42 -38.18 81.21 Favored 'Isoleucine or valine' 0 C--N 1.342 0.251 0 C-N-CA 120.125 -0.63 . . . . 0.0 109.719 172.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -52.61 -56.14 19.41 Favored Glycine 0 CA--C 1.528 0.869 0 C-N-CA 124.017 0.818 . . . . 0.0 111.807 176.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 6.9 tp -62.15 -46.87 95.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 117.961 0.881 . . . . 0.0 110.113 177.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -55.23 -43.55 74.66 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.306 0.503 . . . . 0.0 111.204 -178.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -55.06 -33.12 62.45 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 125.393 1.477 . . . . 0.0 112.464 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -56.91 -35.06 68.56 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 118.73 0.696 . . . . 0.0 110.322 178.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -81.0 -65.51 1.0 Allowed 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 169.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 18.8 m -72.63 71.8 1.0 Allowed 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 124.36 1.064 . . . . 0.0 110.313 178.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -167.63 -43.1 0.03 OUTLIER Glycine 0 CA--C 1.524 0.622 0 N-CA-C 107.243 -2.343 . . . . 0.0 107.243 -174.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -62.56 88.33 0.03 OUTLIER 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 106.731 -1.581 . . . . 0.0 106.731 167.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 73.13 -55.97 0.67 Allowed 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 126.002 1.721 . . . . 0.0 109.263 -168.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 61.18 59.48 9.96 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 109.761 -1.336 . . . . 0.0 109.761 178.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -44.14 -41.85 5.95 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 125.718 1.607 . . . . 0.0 111.825 -174.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -164.51 -158.14 0.4 Allowed 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 104.583 -2.377 . . . . 0.0 104.583 169.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 31.7 p-80 -67.38 65.2 0.07 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.472 0.709 . . . . 0.0 110.544 169.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 12.5 t -146.03 144.42 30.06 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.037 0.935 . . . . 0.0 110.224 -177.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 9.5 tt -97.45 108.14 20.8 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 105.096 -2.187 . . . . 0.0 105.096 169.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.8 m -92.4 171.05 9.3 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.47 0.708 . . . . 0.0 111.173 -169.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -47.26 -46.45 24.61 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.994 0.918 . . . . 0.0 111.894 179.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -50.19 -46.5 54.38 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.632 0.73 . . . . 0.0 110.522 173.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -71.07 -36.1 72.15 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 123.358 0.663 . . . . 0.0 110.997 -177.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 72.9 mt -58.63 -47.48 84.23 Favored 'General case' 0 C--O 1.226 -0.153 0 CA-C-N 118.932 0.787 . . . . 0.0 110.2 170.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -57.06 -53.8 53.97 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 118.288 0.495 . . . . 0.0 110.532 177.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -53.21 -50.65 64.27 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 117.791 0.269 . . . . 0.0 110.955 176.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 tt -53.67 -59.1 5.04 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.236 1.014 . . . . 0.0 109.852 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 76.6 mt -52.14 -50.29 36.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-N 118.12 0.418 . . . . 0.0 109.927 179.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -55.98 -44.18 78.31 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 122.879 0.472 . . . . 0.0 111.768 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt . . . . . 0 CA--C 1.53 0.183 0 CA-C-N 118.449 0.568 . . . . 0.0 110.473 175.561 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 tt . . . . . 0 CA--C 1.53 0.177 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 61.9 ttp -51.14 -49.98 59.78 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.655 1.182 . . . . 0.0 110.566 177.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -56.74 -50.78 71.22 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 122.925 0.49 . . . . 0.0 110.301 -178.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -64.7 -44.77 89.19 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 121.064 0.459 . . . . 0.0 111.395 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 31.6 tp -68.39 -46.52 69.79 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 125.404 1.482 . . . . 0.0 112.342 -173.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -79.02 65.07 4.09 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.531 0.733 . . . . 0.0 112.518 -167.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.03 -31.58 61.2 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.335 0.654 . . . . 0.0 110.204 169.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -69.38 2.13 3.29 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.482 1.113 . . . . 0.0 113.307 174.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? 76.1 -60.14 0.49 Allowed 'General case' 0 C--N 1.338 0.069 0 C-N-CA 125.918 1.687 . . . . 0.0 112.06 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -169.62 -163.89 0.41 Allowed 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 125.286 1.434 . . . . 0.0 109.234 -177.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 75.08 -68.65 0.2 Allowed 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 125.928 1.691 . . . . 0.0 112.416 169.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 13.2 mp0 -135.38 109.55 8.31 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 125.881 1.672 . . . . 0.0 108.622 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 20.2 t -92.41 115.91 32.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 N-CA-C 105.333 -2.099 . . . . 0.0 105.333 174.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -91.33 143.93 26.12 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 121.504 -0.747 . . . . 0.0 109.799 -168.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -52.38 -33.95 45.7 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.182 0.993 . . . . 0.0 113.048 -176.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -58.76 -32.69 69.5 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 120.818 -1.176 . . . . 0.0 111.415 175.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -64.57 -49.61 70.51 Favored 'General case' 0 C--O 1.225 -0.225 0 O-C-N 121.596 -0.69 . . . . 0.0 109.705 172.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -51.83 -47.19 64.46 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.639 0.776 . . . . 0.0 110.129 177.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 16.5 mm -63.95 -57.65 10.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 C-N-CA 122.979 0.511 . . . . 0.0 111.196 179.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 29.2 p -60.47 -33.67 72.92 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.265 -0.897 . . . . 0.0 111.132 -177.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -58.76 -48.92 79.55 Favored 'General case' 0 C--N 1.34 0.165 0 C-N-CA 125.914 1.685 . . . . 0.0 110.358 169.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.23 -48.24 62.16 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 172.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -51.94 -59.04 9.2 Favored Glycine 0 CA--C 1.524 0.639 0 CA-C-O 119.382 -0.677 . . . . 0.0 111.725 175.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.76 -49.26 68.6 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.335 1.067 . . . . 0.0 111.155 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 47.7 tp -59.12 -33.82 71.31 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.307 1.043 . . . . 0.0 111.033 -179.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.87 -50.14 25.7 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 118.342 0.519 . . . . 0.0 111.218 171.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 66.7 mtp -58.37 -19.91 39.54 Favored 'General case' 0 N--CA 1.46 0.047 0 C-N-CA 126.204 1.802 . . . . 0.0 113.574 -169.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 11.0 tp -51.26 -40.07 22.21 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 CA-C-N 118.47 0.577 . . . . 0.0 110.792 169.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 65.07 -41.21 0.3 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 127.319 2.248 . . . . 0.0 114.501 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -56.97 139.48 51.87 Favored 'General case' 0 N--CA 1.455 -0.211 0 O-C-N 120.7 -1.25 . . . . 0.0 107.673 167.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 66.56 -61.16 0.32 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.226 1.411 . . . . 0.0 111.855 -170.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.48 -55.63 17.84 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.689 1.195 . . . . 0.0 112.466 -176.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 94.9 mt . . . . . 0 CA--C 1.531 0.245 0 C-N-CA 124.345 1.058 . . . . 0.0 109.51 169.874 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.1 m . . . . . 0 N--CA 1.446 -0.627 0 CA-C-O 118.226 -0.892 . . . . 0.0 113.347 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -46.04 -36.31 15.95 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 122.76 2.307 . . . . 0.0 113.809 175.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 88.0 mt -59.71 -49.49 77.55 Favored 'General case' 0 C--N 1.341 0.205 0 CA-C-N 118.504 0.593 . . . . 0.0 109.952 175.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -37.21 74.52 Favored 'General case' 0 N--CA 1.454 -0.238 0 O-C-N 122.07 -0.393 . . . . 0.0 110.886 -176.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.42 -50.99 68.36 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 170.035 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.43 -53.89 53.0 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 122.463 0.305 . . . . 0.0 110.218 -175.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.8 mt -55.24 -51.79 51.93 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 C-N-CA 123.224 0.61 . . . . 0.0 109.379 177.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.56 -58.51 9.0 Favored Glycine 0 CA--C 1.526 0.721 0 C-N-CA 124.0 0.81 . . . . 0.0 111.353 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.16 -50.53 73.18 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 117.153 0.476 . . . . 0.0 110.441 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.8 tp -54.45 -55.87 24.46 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.767 0.827 . . . . 0.0 110.935 -176.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mp -63.68 -41.83 93.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -44.97 -57.82 5.24 Favored Glycine 0 CA--C 1.526 0.769 0 C-N-CA 125.769 1.652 . . . . 0.0 112.23 175.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.8 tp -74.2 -45.27 47.97 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 CA-C-N 117.618 0.709 . . . . 0.0 110.72 178.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -51.23 -50.3 59.41 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 122.664 0.386 . . . . 0.0 110.989 -172.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -61.37 -32.76 72.69 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 119.824 -0.751 . . . . 0.0 111.84 -176.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -71.9 -52.92 14.91 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 178.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -55.06 -51.1 67.39 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.336 0.654 . . . . 0.0 110.582 -179.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 90.4 p -72.61 -34.93 67.7 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.117 0.567 . . . . 0.0 111.373 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -50.66 -27.97 14.25 Favored Glycine 0 CA--C 1.526 0.769 0 C-N-CA 125.309 1.433 . . . . 0.0 113.178 177.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -48.95 -38.23 22.34 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 117.804 0.802 . . . . 0.0 111.925 171.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -68.76 -54.92 13.15 Favored 'General case' 0 N--CA 1.457 -0.111 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 173.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.78 -176.91 39.79 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -56.03 -23.88 35.95 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.747 1.219 . . . . 0.0 112.933 -177.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -67.95 -7.06 25.49 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.825 0.85 . . . . 0.0 112.322 177.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.8 p-80 47.08 62.6 2.31 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.82 1.648 . . . . 0.0 111.661 170.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.9 t -130.69 152.69 49.78 Favored 'General case' 0 N--CA 1.443 -0.825 0 C-N-CA 125.311 1.444 . . . . 0.0 107.85 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.9 mp -92.88 116.66 29.24 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 106.525 -1.658 . . . . 0.0 106.525 174.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.5 p -97.6 173.94 6.89 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 124.662 1.185 . . . . 0.0 108.335 168.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -43.08 -34.96 1.15 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.142 0.577 . . . . 0.0 111.881 168.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -59.75 -62.51 1.82 Allowed 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 118.679 0.672 . . . . 0.0 110.108 178.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.5 mp0 -57.4 -44.18 84.34 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 122.891 0.476 . . . . 0.0 109.947 -177.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.7 tt -54.23 -62.75 1.45 Allowed 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.468 0.707 . . . . 0.0 109.307 177.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -56.53 -53.65 55.02 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.227 0.611 . . . . 0.0 109.564 -175.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.75 -53.66 14.56 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.232 0.613 . . . . 0.0 110.06 178.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.8 tp -57.5 -62.46 1.76 Allowed 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 121.024 -0.27 . . . . 0.0 110.592 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 34.6 pt -63.79 -34.49 68.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 119.729 -0.788 . . . . 0.0 111.462 -170.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -65.63 -52.7 49.8 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.111 0.964 . . . . 0.0 110.099 178.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -62.24 -44.31 96.84 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.456 0.571 . . . . 0.0 111.065 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 . . . . . 0 CA--C 1.53 0.189 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 173.378 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 . . . . . 0 N--CA 1.447 -0.61 0 CA-C-O 118.168 -0.92 . . . . 0.0 110.693 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 65.1 mt -56.59 -56.09 15.86 Favored 'Isoleucine or valine' 0 C--N 1.345 0.399 0 CA-C-N 120.001 1.273 . . . . 0.0 109.625 175.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.5 p -63.07 -39.62 85.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-O 119.146 -0.454 . . . . 0.0 110.62 -177.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -56.97 -51.87 67.5 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.926 0.784 . . . . 0.0 110.801 174.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.9 mt -59.9 -48.41 81.8 Favored 'General case' 0 N--CA 1.455 -0.177 0 O-C-N 122.141 -0.349 . . . . 0.0 110.282 -178.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 54.5 mtt -54.62 -53.34 55.92 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 176.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -52.98 -52.95 56.52 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.734 0.814 . . . . 0.0 110.977 178.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -63.52 -49.17 74.57 Favored 'General case' 0 N--CA 1.455 -0.186 0 O-C-N 122.269 -0.269 . . . . 0.0 111.485 -177.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 56.0 tp -57.04 -45.3 83.26 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 178.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -59.9 -52.35 65.78 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 122.639 0.375 . . . . 0.0 110.588 178.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.8 ttp-105 -50.45 -43.64 55.27 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 122.472 0.309 . . . . 0.0 110.19 175.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.28 -45.2 81.27 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 119.166 -0.445 . . . . 0.0 111.095 -178.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -107.07 29.22 7.29 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.791 0.836 . . . . 0.0 112.578 -169.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.4 t0 44.58 44.98 7.68 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.644 1.178 . . . . 0.0 111.699 -178.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . 0.308 0.9 OUTLIER 50.44 13.35 0.12 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 128.181 2.592 . . . . 0.0 116.3 -174.844 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -94.62 90.25 6.07 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 172.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 79.6 t -92.08 99.96 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 N-CA-C 105.445 -2.058 . . . . 0.0 105.445 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -90.77 170.14 10.37 Favored 'General case' 0 N--CA 1.461 0.124 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 -175.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -44.27 -51.25 8.5 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -169.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -61.61 -35.45 77.9 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.201 -0.937 . . . . 0.0 111.465 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -71.18 -38.9 72.12 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 121.77 -0.581 . . . . 0.0 110.027 176.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -56.05 -50.2 71.62 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.417 0.553 . . . . 0.0 109.907 171.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 20.3 mm -54.68 -50.24 61.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 O-C-N 121.967 -0.458 . . . . 0.0 109.98 176.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.9 m -55.3 -42.06 73.16 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.768 -0.582 . . . . 0.0 110.596 175.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -62.43 -37.99 88.01 Favored 'General case' 0 C--O 1.224 -0.259 0 C-N-CA 123.316 0.646 . . . . 0.0 111.09 176.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.2 tt -56.1 -49.89 72.58 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 173.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.42 -56.19 13.93 Favored Glycine 0 CA--C 1.53 0.969 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.881 172.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.45 -49.06 78.67 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 117.628 0.714 . . . . 0.0 111.652 -177.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.7 tp -52.99 -57.45 10.29 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.155 0.982 . . . . 0.0 109.053 176.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.4 -41.62 66.15 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 122.931 0.492 . . . . 0.0 111.247 178.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 39.4 ttm -55.67 -33.1 63.8 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.23 0.612 . . . . 0.0 111.7 178.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 36.2 mm -60.46 -29.88 45.37 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 CA-C-N 119.649 1.113 . . . . 0.0 111.255 174.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -91.6 -2.09 57.23 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.209 1.003 . . . . 0.0 112.244 175.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.0 p30 12.76 -83.12 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 128.828 2.851 . . . . 0.0 115.143 174.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -40.0 -42.12 1.33 Allowed 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.656 1.582 . . . . 0.0 111.909 -177.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -43.85 -34.24 1.56 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.962 1.305 . . . . 0.0 113.564 178.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.539 0.538 0 N-CA-C 113.882 1.068 . . . . 0.0 113.882 175.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.539 0.548 0 CA-C-O 118.816 -0.612 . . . . 0.0 109.66 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -60.87 -45.93 18.38 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 122.077 1.851 . . . . 0.0 111.338 178.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 60.3 tp -59.52 -46.56 88.51 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 122.829 0.452 . . . . 0.0 110.155 176.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -54.58 -49.14 71.08 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 118.054 0.388 . . . . 0.0 111.034 175.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.34 -42.53 70.34 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 122.973 0.509 . . . . 0.0 110.638 173.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.47 -50.53 58.69 Favored 'General case' 0 CA--C 1.528 0.123 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -175.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 91.1 mt -55.18 -50.4 64.41 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.165 0 C-N-CA 123.692 0.797 . . . . 0.0 108.967 174.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.47 -54.46 24.1 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 124.05 0.833 . . . . 0.0 111.084 178.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 55.0 tp -57.34 -51.67 68.46 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.816 0.447 . . . . 0.0 110.428 179.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 21.8 tp -53.79 -56.46 17.34 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.252 1.021 . . . . 0.0 111.023 -179.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 23.8 mm -57.02 -44.1 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 123.941 0.897 . . . . 0.0 109.053 178.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -50.27 -66.84 2.14 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 123.968 0.794 . . . . 0.0 111.265 174.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 7.8 tp -55.64 -43.97 75.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-N 117.948 0.874 . . . . 0.0 110.555 -176.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -55.61 -48.39 74.98 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 122.04 -0.412 . . . . 0.0 111.232 176.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -62.79 -31.45 72.43 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.2 0.6 . . . . 0.0 111.467 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -56.83 -41.2 77.44 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 119.353 0.979 . . . . 0.0 110.042 175.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -71.9 -66.76 0.6 Allowed 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 172.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 45.9 m -73.75 69.79 1.35 Allowed 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 124.426 1.091 . . . . 0.0 109.344 179.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 174.75 -20.24 0.05 OUTLIER Glycine 0 CA--C 1.531 1.083 0 C-N-CA 126.696 2.093 . . . . 0.0 110.981 -170.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -71.21 71.19 0.59 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.566 1.147 . . . . 0.0 112.79 -173.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 65.36 -68.45 0.11 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 128.094 2.558 . . . . 0.0 113.241 169.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.09 -61.66 1.56 Allowed Glycine 0 CA--C 1.523 0.54 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 -177.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.36 40.1 0.48 Allowed 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.921 0.888 . . . . 0.0 111.209 -169.502 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.59 53.26 1.83 Allowed 'General case' 0 CA--C 1.531 0.218 0 O-C-N 121.021 -1.05 . . . . 0.0 111.702 -175.098 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -150.99 -53.49 0.14 Allowed 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.547 1.139 . . . . 0.0 111.259 -173.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 36.0 p -146.91 173.15 12.68 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 125.686 1.594 . . . . 0.0 107.115 -169.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 91.8 mt -88.25 76.89 8.34 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 105.438 -2.06 . . . . 0.0 105.438 174.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 14.0 m -89.62 171.41 9.7 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 114.462 -1.245 . . . . 0.0 108.524 -178.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -24.75 -62.35 0.06 Allowed 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 126.931 2.093 . . . . 0.0 114.258 -168.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -53.94 -52.29 61.11 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 121.233 0.539 . . . . 0.0 109.945 -176.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -63.89 -41.84 97.62 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 123.762 0.825 . . . . 0.0 110.849 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 52.2 tp -58.33 -51.57 69.24 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 179.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -63.24 -47.96 80.27 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 122.279 -0.263 . . . . 0.0 110.61 -178.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -53.53 -49.26 68.0 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 122.211 -0.306 . . . . 0.0 110.806 173.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 50.4 tp -55.31 -60.02 3.99 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 118.323 -0.846 . . . . 0.0 109.53 -179.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 24.2 pt -58.93 -41.84 84.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 CA-C-N 119.491 1.042 . . . . 0.0 110.75 -176.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -54.53 -46.21 73.51 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 122.511 0.324 . . . . 0.0 110.804 177.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt . . . . . 0 CA--C 1.538 0.505 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 179.373 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 13.6 tp . . . . . 0 CA--C 1.531 0.226 0 CA-C-O 120.812 0.339 . . . . 0.0 110.132 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 34.2 ttp -54.79 -52.84 61.36 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.908 0.883 . . . . 0.0 109.951 174.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -54.09 -50.96 65.63 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 122.89 0.476 . . . . 0.0 110.678 178.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -53.39 -51.24 63.17 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.355 0.662 . . . . 0.0 111.419 176.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 57.0 mt -58.94 -48.04 82.91 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 122.421 0.288 . . . . 0.0 111.037 178.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -58.5 -49.61 76.76 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 123.499 0.719 . . . . 0.0 111.451 -179.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 18.4 mtp-105 57.36 -70.75 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 127.092 2.157 . . . . 0.0 111.81 -168.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -128.75 -0.4 5.42 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.905 1.682 . . . . 0.0 110.559 -173.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp 72.3 -56.55 0.65 Allowed 'General case' 0 C--N 1.344 0.332 0 C-N-CA 126.717 2.007 . . . . 0.0 111.626 -178.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -71.93 71.25 0.79 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 106.223 -1.769 . . . . 0.0 106.223 167.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -141.36 144.04 34.32 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 126.003 1.721 . . . . 0.0 107.283 -168.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -119.34 129.72 55.0 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 105.22 -2.141 . . . . 0.0 105.22 169.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 93.9 t -104.48 127.21 59.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 -179.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -92.29 155.95 17.6 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.853 0.861 . . . . 0.0 109.919 -175.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -47.75 -46.4 30.0 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.354 0.662 . . . . 0.0 112.635 177.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 68.3 tp60 -63.02 -36.89 85.06 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.194 -0.942 . . . . 0.0 110.789 178.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -64.5 -45.45 87.23 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 176.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -53.35 -50.66 64.56 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 122.986 0.515 . . . . 0.0 111.002 173.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 14.0 mm -56.2 -58.42 5.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 122.963 0.505 . . . . 0.0 110.484 178.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 2.5 m -60.29 -39.57 87.41 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.485 -0.759 . . . . 0.0 110.094 -176.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -54.83 -44.32 73.78 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.647 1.179 . . . . 0.0 110.672 171.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.6 tt -55.11 -50.45 69.18 Favored 'General case' 0 C--N 1.34 0.159 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 176.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -52.23 -58.48 10.74 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 112.054 -0.418 . . . . 0.0 112.054 175.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.0 -43.94 74.07 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.241 1.016 . . . . 0.0 111.741 -177.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 4.7 tt -62.94 -62.21 1.87 Allowed 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 176.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -50.2 -38.39 39.83 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.355 1.062 . . . . 0.0 112.509 -176.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 50.1 ttp -45.37 -33.49 2.56 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.741 1.216 . . . . 0.0 112.996 177.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 4.6 pt -59.41 -30.22 43.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 119.038 0.836 . . . . 0.0 111.722 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -78.59 59.3 2.43 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 121.543 0.687 . . . . 0.0 110.185 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -58.19 -46.32 86.02 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 175.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 47.7 mp0 -75.58 54.63 0.78 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.243 1.417 . . . . 0.0 110.213 175.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -170.87 -55.32 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 127.381 2.272 . . . . 0.0 106.203 175.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 67.5 mt . . . . . 0 CA--C 1.53 0.209 0 C-N-CA 123.023 0.529 . . . . 0.0 109.99 172.422 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.235 0.336 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -41.07 -52.43 3.42 Favored 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 124.42 3.413 . . . . 0.0 114.471 -177.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -55.35 -53.73 52.5 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.536 0.607 . . . . 0.0 112.552 -177.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -67.96 -40.7 83.15 Favored 'General case' 0 C--O 1.231 0.099 0 O-C-N 121.544 -0.722 . . . . 0.0 110.928 -178.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -55.13 -44.05 74.7 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 173.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.05 -43.78 77.89 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.648 0.779 . . . . 0.0 111.197 -178.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 70.7 mt -55.57 -49.33 74.44 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 173.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.24 -53.03 36.68 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 175.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 55.5 tp -56.62 -48.39 77.59 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.242 0.617 . . . . 0.0 110.641 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 tt -56.04 -52.02 65.72 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 125.173 1.389 . . . . 0.0 110.233 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.9 mm -53.44 -51.52 40.81 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 173.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.98 -63.37 4.28 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 124.074 0.845 . . . . 0.0 111.779 179.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.3 pt -59.32 -41.11 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 CA-C-N 117.652 0.726 . . . . 0.0 110.814 -177.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -61.58 -51.13 69.81 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 118.599 0.636 . . . . 0.0 111.009 -179.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 14.4 t-80 -61.53 -38.57 87.89 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.177 178.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -65.88 -48.43 71.56 Favored 'General case' 0 CA--C 1.528 0.125 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -177.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -59.2 -63.3 1.35 Allowed 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 124.404 1.082 . . . . 0.0 109.381 178.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 m -59.78 -22.23 61.86 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.303 0.641 . . . . 0.0 111.471 -179.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -43.56 -31.92 1.81 Allowed Glycine 0 CA--C 1.527 0.788 0 C-N-CA 126.841 2.162 . . . . 0.0 112.605 168.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -69.61 69.52 0.27 Allowed 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 118.475 1.138 . . . . 0.0 109.68 169.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . 0.284 9.3 pt-20 53.49 -67.76 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 128.425 2.69 . . . . 0.0 113.549 -169.481 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 49.58 40.33 31.98 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 123.868 0.747 . . . . 0.0 111.37 -176.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.4 t70 60.45 -70.22 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.598 1.559 . . . . 0.0 111.644 -169.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.8 pttm -137.64 48.7 2.01 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.881 1.673 . . . . 0.0 108.442 175.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 50.64 44.33 27.51 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.872 1.269 . . . . 0.0 112.441 -173.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.4 p -116.5 174.57 6.0 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 127.606 2.362 . . . . 0.0 105.351 168.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 tt -90.71 84.04 5.83 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 -168.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.2 t -91.46 170.04 10.28 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.421 1.088 . . . . 0.0 110.491 -175.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -40.64 -48.92 2.99 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.558 1.143 . . . . 0.0 113.103 -173.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -51.02 -54.95 20.1 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.692 0.797 . . . . 0.0 110.656 175.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -66.76 -34.41 77.78 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.296 1.039 . . . . 0.0 110.766 -176.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.4 tt -61.48 -55.18 33.99 Favored 'General case' 0 C--O 1.232 0.161 0 C-N-CA 124.061 0.945 . . . . 0.0 109.601 174.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -55.48 -52.01 65.08 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.094 0.557 . . . . 0.0 109.715 178.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -55.55 -42.15 74.25 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 122.772 0.429 . . . . 0.0 110.993 176.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 59.9 tp -65.06 -48.14 74.85 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 118.824 0.738 . . . . 0.0 109.484 -177.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 82.1 mt -53.8 -53.9 23.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 174.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.4 tp60 -54.19 -41.27 68.38 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.245 0.618 . . . . 0.0 111.686 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -66.29 -61.26 2.11 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.222 0.609 . . . . 0.0 109.767 178.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 . . . . . 0 CA--C 1.531 0.232 0 C-N-CA 123.531 0.733 . . . . 0.0 111.486 -178.385 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 . . . . . 0 CA--C 1.536 0.431 0 CA-C-O 118.493 -0.765 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 53.8 mt -64.79 -48.35 84.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 120.227 1.376 . . . . 0.0 108.859 178.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 79.7 t -54.54 -54.27 23.78 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 175.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -53.39 -48.5 68.59 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.246 0.618 . . . . 0.0 110.936 178.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.4 tp -59.71 -50.0 75.56 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 122.748 0.419 . . . . 0.0 110.093 -179.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.3 tpt -63.59 -38.6 91.76 Favored 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 121.937 -0.477 . . . . 0.0 110.612 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -58.14 -51.12 71.02 Favored 'General case' 0 C--O 1.225 -0.201 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 173.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -55.06 -42.8 73.2 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 122.742 0.417 . . . . 0.0 111.483 176.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.8 tp -60.09 -46.82 88.31 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 122.898 0.479 . . . . 0.0 110.106 175.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -70.59 74.51 0.56 Allowed 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 124.165 0.986 . . . . 0.0 109.437 173.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.0 tpp85 -73.92 64.07 0.96 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.645 1.178 . . . . 0.0 110.619 -177.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 64.75 15.73 9.97 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.564 1.546 . . . . 0.0 111.024 -172.499 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -82.43 57.97 3.91 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.559 1.144 . . . . 0.0 108.02 176.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -77.44 60.5 2.07 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.606 0.762 . . . . 0.0 112.049 -168.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -160.4 -59.48 0.06 Allowed 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.678 1.191 . . . . 0.0 108.832 169.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -148.31 160.64 42.78 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 124.159 0.983 . . . . 0.0 111.602 172.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 19.1 m -118.71 157.24 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 N-CA-C 106.311 -1.737 . . . . 0.0 106.311 165.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -93.13 164.04 13.41 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 122.968 0.507 . . . . 0.0 110.703 -169.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -41.34 -45.06 2.93 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.382 1.073 . . . . 0.0 111.575 168.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.2 tp60 -57.7 -34.43 69.44 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 121.197 -0.939 . . . . 0.0 112.155 178.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -74.03 -40.13 63.08 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 121.557 -0.715 . . . . 0.0 110.277 175.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -52.42 -51.91 56.69 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 118.835 0.743 . . . . 0.0 109.962 171.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 16.5 mm -52.32 -55.08 11.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 C-N-CA 123.256 0.623 . . . . 0.0 110.005 174.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 25.6 m -56.71 -36.38 69.62 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.74 -0.6 . . . . 0.0 111.176 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -61.98 -41.3 97.86 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.656 0.662 . . . . 0.0 110.576 176.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.12 -51.9 62.77 Favored 'General case' 0 C--N 1.344 0.348 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 171.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.17 -53.63 14.65 Favored Glycine 0 CA--C 1.525 0.677 0 CA-C-N 115.272 -0.876 . . . . 0.0 112.236 175.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.44 -57.05 13.96 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 118.008 0.904 . . . . 0.0 110.722 -178.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.6 mp -51.96 -57.89 8.13 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 121.226 0.536 . . . . 0.0 110.247 179.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -52.76 -54.52 32.73 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.287 -178.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 31.5 ttp -59.41 -42.09 90.98 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.374 1.07 . . . . 0.0 110.942 -177.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.7 mm -55.92 -56.9 10.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 174.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.1 p90 -81.1 58.06 3.36 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 119.151 0.887 . . . . 0.0 111.363 173.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -37.7 -42.36 0.56 Allowed 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 126.896 2.078 . . . . 0.0 112.819 178.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -53.87 -32.77 54.34 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.802 0.841 . . . . 0.0 111.157 -173.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.01 -36.03 83.09 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 122.167 0.187 . . . . 0.0 111.445 176.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.5 mm? . . . . . 0 N--CA 1.456 -0.145 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 175.297 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 15.7 m . . . . . 0 CA--C 1.537 0.475 0 N-CA-C 112.505 0.558 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -57.01 -35.57 98.98 Favored 'Trans proline' 0 N--CA 1.456 -0.717 0 C-N-CA 122.636 2.224 . . . . 0.0 111.272 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 pp -54.73 -42.78 71.98 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.88 -0.513 . . . . 0.0 111.659 172.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -69.14 -45.66 69.54 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -178.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -53.01 -45.71 68.03 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 123.285 0.365 . . . . 0.0 110.02 173.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.77 -59.13 5.31 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.187 0.595 . . . . 0.0 110.523 -175.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 14.1 pt -61.27 -42.86 95.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.088 -179.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.94 -53.67 29.13 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 176.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 6.5 tt -57.15 -58.77 6.77 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.176 0.59 . . . . 0.0 109.994 177.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 55.0 mt -52.83 -51.67 60.02 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 121.154 0.502 . . . . 0.0 110.98 -175.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 35.5 mm -63.54 -44.63 98.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 C-N-CA 122.927 0.491 . . . . 0.0 109.984 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.17 -49.52 55.64 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 175.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.3 mp -58.53 -50.82 77.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 O-C-N 121.987 -0.714 . . . . 0.0 109.631 175.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -55.71 -39.37 70.96 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 117.771 0.259 . . . . 0.0 111.387 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -51.83 -36.16 47.12 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.492 1.117 . . . . 0.0 111.139 -179.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -59.5 -51.62 69.1 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 118.392 0.542 . . . . 0.0 110.21 177.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -59.72 -54.17 49.49 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.6 t -50.93 -43.35 60.06 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.627 0.771 . . . . 0.0 110.533 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.13 -35.05 63.4 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 125.044 1.307 . . . . 0.0 112.872 178.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -71.4 -18.04 62.37 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.412 1.106 . . . . 0.0 111.697 176.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 64.23 -74.05 0.05 OUTLIER 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 126.439 1.896 . . . . 0.0 111.873 -178.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.93 -61.96 1.31 Allowed Glycine 0 CA--C 1.529 0.921 0 N-CA-C 110.092 -1.203 . . . . 0.0 110.092 -169.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -128.13 -53.25 1.3 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.784 1.234 . . . . 0.0 111.506 172.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -150.76 -160.54 1.18 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.799 1.24 . . . . 0.0 107.954 -177.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 36.7 m170 -74.37 58.93 0.76 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.617 0.767 . . . . 0.0 109.078 172.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 18.2 p -146.26 170.79 16.05 Favored 'General case' 0 N--CA 1.44 -0.928 0 C-N-CA 126.381 1.872 . . . . 0.0 107.469 -167.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 81.5 mt -95.88 108.97 21.39 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 176.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 18.7 t -96.85 173.54 7.25 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 124.15 0.98 . . . . 0.0 108.939 168.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -44.51 -43.11 7.7 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.636 1.174 . . . . 0.0 112.604 -174.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -64.11 -45.57 88.01 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.465 -0.772 . . . . 0.0 111.907 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 46.3 mp0 -63.76 -46.49 85.05 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 177.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 36.7 tp -52.76 -57.47 10.06 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.16 0.984 . . . . 0.0 109.497 177.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -56.3 -43.12 78.6 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 121.915 -0.491 . . . . 0.0 110.954 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -55.92 -52.62 63.46 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 118.49 0.587 . . . . 0.0 110.113 174.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 58.3 tp -55.18 -52.73 62.4 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 122.901 0.48 . . . . 0.0 110.814 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 1.7 mp -54.93 -53.87 29.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 122.992 0.517 . . . . 0.0 109.788 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -57.69 -43.38 85.07 Favored 'General case' 0 CA--C 1.529 0.169 0 O-C-N 122.006 -0.434 . . . . 0.0 110.591 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt . . . . . 0 N--CA 1.451 -0.4 0 C-N-CA 122.791 0.437 . . . . 0.0 110.543 179.718 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 15.4 mt . . . . . 0 C--O 1.232 0.161 0 N-CA-C 110.611 -0.144 . . . . 0.0 110.611 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 55.6 ttp -59.32 -58.86 6.77 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 120.894 0.378 . . . . 0.0 110.53 176.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -60.01 -39.63 86.46 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.278 0.631 . . . . 0.0 111.762 -174.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -76.79 -70.1 0.48 Allowed 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 61.2 mt -83.57 -69.2 0.65 Allowed 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.226 0.536 . . . . 0.0 111.174 -173.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -85.57 63.63 8.18 Favored 'General case' 0 CA--C 1.521 -0.171 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -167.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 63.7 mtp85 -78.65 49.41 0.88 Allowed 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 168.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 68.52 -37.75 0.36 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.222 1.809 . . . . 0.0 112.228 -168.488 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -56.82 -28.07 60.97 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 126.263 1.825 . . . . 0.0 114.063 -175.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -71.23 74.22 0.69 Allowed 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 121.675 0.75 . . . . 0.0 111.92 -174.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -76.25 -42.12 46.82 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 106.145 -1.798 . . . . 0.0 106.145 166.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -146.93 146.55 30.17 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 125.957 1.703 . . . . 0.0 109.711 168.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 9.2 m -135.25 155.04 36.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 C-N-CA 125.575 1.55 . . . . 0.0 107.883 168.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -92.47 154.02 18.74 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.26 0.624 . . . . 0.0 111.976 -168.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -41.97 -46.5 4.14 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.337 1.055 . . . . 0.0 112.455 171.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 19.4 tp60 -60.42 -34.14 73.52 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.063 -1.023 . . . . 0.0 111.675 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -70.8 -42.44 70.3 Favored 'General case' 0 N--CA 1.455 -0.188 0 O-C-N 121.817 -0.552 . . . . 0.0 109.619 175.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -53.02 -49.36 66.43 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.135 0.425 . . . . 0.0 110.221 171.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 12.8 mm -56.33 -51.74 60.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 122.854 0.462 . . . . 0.0 110.421 176.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 19.7 m -55.14 -43.12 73.88 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.554 -0.716 . . . . 0.0 110.229 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -60.5 -41.41 94.25 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.068 0.547 . . . . 0.0 111.26 174.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.02 -50.77 57.92 Favored 'General case' 0 C--N 1.341 0.232 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 173.042 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.15 -60.12 8.95 Favored Glycine 0 CA--C 1.525 0.66 0 CA-C-O 119.7 -0.5 . . . . 0.0 111.939 175.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.51 -45.4 66.23 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.733 0.813 . . . . 0.0 111.771 -177.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 48.2 tp -61.55 -62.69 1.64 Allowed 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 123.682 0.793 . . . . 0.0 109.614 176.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.72 -38.25 66.88 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.896 0.878 . . . . 0.0 111.505 -174.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 15.7 tpt -52.87 -23.57 7.34 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.993 1.317 . . . . 0.0 112.461 176.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 10.5 tt -51.55 -35.77 17.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 118.975 0.807 . . . . 0.0 111.032 174.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -79.08 51.18 1.12 Allowed 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.155 0.582 . . . . 0.0 110.198 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -59.21 -22.15 60.58 Favored 'General case' 0 C--O 1.223 -0.297 0 C-N-CA 123.431 0.693 . . . . 0.0 112.215 -172.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -43.06 -40.96 3.33 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.723 0.809 . . . . 0.0 111.244 169.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -80.82 -48.41 12.48 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.292 0.637 . . . . 0.0 111.397 178.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 1.8 mm? . . . . . 0 CA--C 1.533 0.314 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -171.252 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.5 p . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -51.5 -44.8 41.56 Favored 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 122.582 2.188 . . . . 0.0 110.99 169.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.9 mt -52.71 -62.18 1.81 Allowed 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.47 0.708 . . . . 0.0 109.65 174.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -60.85 -33.94 73.83 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -176.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.89 -43.43 98.86 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.284 0.493 . . . . 0.0 110.229 172.656 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.23 -49.1 75.51 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 42.6 mm -50.34 -55.17 6.61 Favored 'Isoleucine or valine' 0 C--N 1.342 0.254 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 172.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.79 -50.8 14.12 Favored Glycine 0 CA--C 1.527 0.81 0 C-N-CA 125.564 1.554 . . . . 0.0 112.035 178.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.77 -56.15 20.16 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 122.006 -0.703 . . . . 0.0 110.048 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.0 mt -58.26 -50.08 74.84 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-O 121.946 0.879 . . . . 0.0 111.238 -176.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.0 tt -68.5 -34.76 67.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.643 -177.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.73 -49.78 74.87 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 124.099 0.857 . . . . 0.0 110.971 173.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 75.9 mt -52.67 -53.36 20.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 174.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -58.8 -46.83 86.68 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -179.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -51.42 -42.96 61.85 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 125.505 1.522 . . . . 0.0 110.1 176.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -59.39 -51.47 69.76 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 120.989 0.423 . . . . 0.0 110.401 -176.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -62.4 -45.33 93.62 Favored 'General case' 0 C--O 1.227 -0.088 0 O-C-N 121.87 -0.519 . . . . 0.0 110.614 176.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.3 m -52.05 -41.53 62.39 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 122.342 0.257 . . . . 0.0 111.602 176.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.83 -53.14 43.13 Favored Glycine 0 CA--C 1.523 0.593 0 C-N-CA 124.733 1.158 . . . . 0.0 110.947 174.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -59.31 -37.12 76.96 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 117.577 0.688 . . . . 0.0 112.003 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -61.8 -57.72 10.77 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 118.273 0.488 . . . . 0.0 109.928 170.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.88 -71.84 0.9 Allowed Glycine 0 CA--C 1.528 0.849 0 N-CA-C 110.35 -1.1 . . . . 0.0 110.35 -175.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -80.48 52.85 1.71 Allowed 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.456 1.102 . . . . 0.0 111.064 -176.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.0 ptpp? 146.28 152.43 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 131.318 3.847 . . . . 0.0 106.814 -179.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -128.09 51.33 1.98 Allowed 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 122.475 1.131 . . . . 0.0 108.095 177.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 65.5 p -145.46 152.24 39.48 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 103.824 -2.658 . . . . 0.0 103.824 176.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.7 mp -90.88 152.32 20.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 118.977 0.808 . . . . 0.0 109.114 -169.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 m -145.97 173.18 12.38 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 126.369 1.868 . . . . 0.0 108.003 -172.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -35.93 -53.86 0.76 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.624 1.569 . . . . 0.0 111.893 175.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -42.85 -51.81 5.33 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.902 1.281 . . . . 0.0 111.536 175.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -70.99 -31.43 67.96 Favored 'General case' 0 N--CA 1.451 -0.417 0 O-C-N 121.948 -0.47 . . . . 0.0 110.959 -176.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.9 mt -62.87 -46.67 86.76 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 120.105 -0.638 . . . . 0.0 109.653 171.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 36.2 mmtp -56.41 -48.95 75.87 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.19 0.45 . . . . 0.0 110.25 176.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -53.44 -50.12 65.93 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 122.329 -0.232 . . . . 0.0 110.904 174.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 tt -56.98 -53.86 53.3 Favored 'General case' 0 C--O 1.226 -0.148 0 O-C-N 122.038 -0.414 . . . . 0.0 110.463 -179.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.4 mm -52.17 -46.58 44.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 123.961 0.904 . . . . 0.0 110.173 177.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.3 -53.95 51.54 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 119.3 -0.381 . . . . 0.0 110.619 178.287 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -62.78 -44.21 96.78 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 118.479 0.582 . . . . 0.0 111.115 -175.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 . . . . . 0 CA--C 1.542 0.662 0 C-N-CA 123.455 0.702 . . . . 0.0 111.289 176.437 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 N--CA 1.448 -0.563 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -63.19 -34.65 68.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 C-N-CA 122.924 0.49 . . . . 0.0 110.112 -171.176 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 41.3 t -45.76 -39.89 3.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 C-N-CA 124.29 1.036 . . . . 0.0 111.374 173.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -64.19 -43.22 95.74 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 119.039 0.836 . . . . 0.0 110.869 177.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 48.3 mt -67.54 -43.23 81.25 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -178.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 25.2 mmt -59.77 -43.27 94.42 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 173.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -56.14 -48.89 75.39 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.471 -0.768 . . . . 0.0 110.757 173.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -57.12 -44.98 83.82 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 118.393 0.542 . . . . 0.0 112.174 176.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 36.6 tp -55.77 -47.07 77.66 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.407 -0.808 . . . . 0.0 110.266 173.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -89.08 21.24 3.25 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.104 1.362 . . . . 0.0 111.6 -173.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 32.7 ptt-85 -54.71 -23.49 17.84 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 124.183 0.993 . . . . 0.0 113.332 -172.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -70.04 39.75 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.072 0.949 . . . . 0.0 111.88 169.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.39 39.05 2.85 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.465 1.506 . . . . 0.0 112.057 -176.175 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.8 t0 45.2 38.15 3.16 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.017 1.327 . . . . 0.0 112.541 -175.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -73.37 -68.83 0.47 Allowed 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 121.549 0.69 . . . . 0.0 109.502 178.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -136.78 102.49 4.91 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 106.889 -1.523 . . . . 0.0 106.889 176.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 52.3 t -90.16 96.89 6.58 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 N-CA-C 104.426 -2.435 . . . . 0.0 104.426 -175.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -88.63 159.9 17.64 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.878 -166.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -49.89 -37.39 31.07 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 122.156 -0.34 . . . . 0.0 111.481 174.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -52.66 -49.52 65.07 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 121.387 -0.821 . . . . 0.0 111.085 169.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -59.78 -46.38 89.37 Favored 'General case' 0 C--O 1.225 -0.217 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 178.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -53.23 -53.67 47.28 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.322 0.649 . . . . 0.0 111.535 176.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 24.3 mm -62.91 -54.44 33.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 O-C-N 121.746 -0.596 . . . . 0.0 110.898 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.6 p -58.25 -41.22 83.76 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 121.967 -0.458 . . . . 0.0 110.67 -178.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -54.46 -49.08 70.93 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.941 0.896 . . . . 0.0 110.887 170.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.8 tt -55.97 -50.16 71.57 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -49.98 -55.82 13.93 Favored Glycine 0 CA--C 1.532 1.099 0 N-CA-C 111.634 -0.586 . . . . 0.0 111.634 175.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.77 -51.45 68.84 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.712 0.805 . . . . 0.0 110.853 -179.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.1 tp -60.16 -43.81 95.51 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 122.939 0.496 . . . . 0.0 110.45 -178.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.37 -45.62 90.92 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 122.041 -0.412 . . . . 0.0 111.402 175.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 84.2 mtp -60.84 -43.6 98.09 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.988 -0.445 . . . . 0.0 110.915 176.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 74.1 mt -57.88 -42.43 82.26 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 174.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 16.1 m-30 -72.97 52.06 0.31 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.54 0.736 . . . . 0.0 110.726 170.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -56.61 -35.06 67.85 Favored 'General case' 0 C--O 1.22 -0.486 0 O-C-N 121.497 -0.752 . . . . 0.0 110.644 -175.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -51.28 -44.91 61.93 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.277 0.489 . . . . 0.0 111.331 175.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.43 -48.67 26.2 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 53.6 tp . . . . . 0 CA--C 1.532 0.281 0 C-N-CA 121.342 -0.143 . . . . 0.0 111.181 -174.888 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 53.6 p . . . . . 0 C--O 1.235 0.338 0 N-CA-C 106.229 -1.767 . . . . 0.0 106.229 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.61 -54.58 4.34 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.096 1.864 . . . . 0.0 110.425 175.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 57.2 tp -56.44 -50.44 71.66 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.316 0.646 . . . . 0.0 110.421 178.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -61.37 -45.09 95.82 Favored 'General case' 0 N--CA 1.455 -0.179 0 O-C-N 121.896 -0.503 . . . . 0.0 111.412 -176.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -60.79 -39.35 88.58 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 122.351 -0.218 . . . . 0.0 110.626 174.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.54 -49.6 76.06 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 120.92 0.39 . . . . 0.0 110.207 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 74.1 mt -58.11 -50.16 79.11 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 175.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.62 -55.72 10.66 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 177.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 60.2 tp -53.12 -57.55 10.07 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.798 0.839 . . . . 0.0 110.06 176.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 13.3 tp -50.96 -57.81 7.62 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.149 0.979 . . . . 0.0 110.919 -177.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 32.2 mm -62.48 -42.98 97.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 -177.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -45.83 -69.78 0.75 Allowed Glycine 0 CA--C 1.529 0.916 0 C-N-CA 124.042 0.83 . . . . 0.0 111.305 172.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 9.6 pt -61.31 -41.46 89.83 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 O-C-N 121.974 -0.721 . . . . 0.0 111.115 -175.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -51.31 -57.56 8.56 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 122.912 0.485 . . . . 0.0 110.753 176.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -64.92 -28.44 69.53 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 121.103 -0.239 . . . . 0.0 110.718 -171.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -74.29 -55.95 5.44 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -54.18 -46.88 72.49 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 121.014 0.435 . . . . 0.0 109.835 176.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 12.5 m -76.72 57.39 1.27 Allowed 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.148 0.979 . . . . 0.0 110.474 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 171.33 -67.78 0.14 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.782 -0.527 . . . . 0.0 111.782 -175.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt 44.73 -75.53 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 127.624 2.37 . . . . 0.0 114.329 -176.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -61.57 -35.46 77.85 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 125.072 1.349 . . . . 0.0 110.868 178.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -149.76 159.42 28.08 Favored Glycine 0 C--N 1.336 0.577 0 N-CA-C 109.093 -1.603 . . . . 0.0 109.093 177.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -77.31 58.87 1.72 Allowed 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.016 0.908 . . . . 0.0 111.577 -175.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -61.41 -44.98 96.19 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 122.954 0.501 . . . . 0.0 109.707 177.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 17.4 m170 55.02 24.04 5.65 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 126.424 1.89 . . . . 0.0 110.649 -175.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 9.4 p -147.69 155.63 41.95 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 128.018 2.527 . . . . 0.0 104.305 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 31.0 mt -93.91 151.31 19.66 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 -172.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 25.0 t -146.45 173.43 12.29 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.865 0.866 . . . . 0.0 109.109 175.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -45.33 -45.61 12.46 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 125.396 1.479 . . . . 0.0 110.527 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 47.1 tptt -51.59 -55.87 16.77 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.943 0.897 . . . . 0.0 111.15 177.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.5 mp0 -62.9 -37.28 86.31 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.017 0.527 . . . . 0.0 110.687 -178.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 53.5 tp -63.92 -49.44 72.6 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 120.782 0.325 . . . . 0.0 110.527 176.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -51.47 67.27 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.668 0.787 . . . . 0.0 109.49 177.251 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -55.67 -45.07 77.78 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 119.399 -0.334 . . . . 0.0 110.859 176.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 60.9 tp -55.62 -56.81 16.0 Favored 'General case' 0 N--CA 1.457 -0.101 0 CA-C-N 118.657 0.662 . . . . 0.0 110.683 177.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 39.9 pt -60.88 -37.14 76.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 C-N-CA 119.503 -0.879 . . . . 0.0 111.062 -178.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -57.21 -47.96 79.99 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 122.162 -0.337 . . . . 0.0 110.508 174.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt . . . . . 0 CA--C 1.53 0.183 0 C-N-CA 122.735 0.414 . . . . 0.0 111.332 178.537 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 49.2 tp . . . . . 0 C--O 1.225 -0.212 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 25.3 ttt -49.91 -62.98 1.26 Allowed 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 174.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -49.86 -59.7 3.61 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.927 0.891 . . . . 0.0 111.809 -178.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -57.65 -51.63 68.73 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.285 1.034 . . . . 0.0 111.384 -177.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.5 tt -81.26 -53.89 5.96 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -168.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -129.11 -15.56 4.19 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 116.687 2.106 . . . . 0.0 116.687 -165.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 25.73 -64.19 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 130.135 3.374 . . . . 0.0 117.692 -175.334 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -47.33 -49.41 24.24 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.777 1.231 . . . . 0.0 109.599 169.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? 66.41 -73.85 0.07 Allowed 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 125.597 1.559 . . . . 0.0 112.54 172.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 32.41 -111.02 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 128.133 2.573 . . . . 0.0 111.619 -175.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -119.3 -49.63 2.37 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 126.318 1.847 . . . . 0.0 110.269 176.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -116.74 107.12 14.27 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.599 1.16 . . . . 0.0 109.265 -172.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 95.9 t -94.14 125.35 46.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 C-N-CA 125.463 1.505 . . . . 0.0 107.316 -178.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -92.15 152.14 20.04 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 121.089 0.471 . . . . 0.0 110.017 -171.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -39.34 -40.08 0.74 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.839 1.656 . . . . 0.0 113.648 174.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.1 tp-100 -55.82 -39.91 72.03 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.04 -1.038 . . . . 0.0 111.453 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -63.12 -41.23 99.29 Favored 'General case' 0 CA--C 1.529 0.171 0 O-C-N 121.632 -0.668 . . . . 0.0 109.977 176.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -59.97 -48.25 82.47 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 122.849 0.459 . . . . 0.0 110.778 175.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 2.9 tp -69.29 -39.61 79.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 O-C-N 121.089 -1.007 . . . . 0.0 110.922 -176.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 14.8 p -62.6 -38.36 89.87 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.151 -0.968 . . . . 0.0 109.982 173.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -57.11 -39.87 75.95 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.205 0.602 . . . . 0.0 110.852 168.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 4.0 tt -59.06 -48.82 80.2 Favored 'General case' 0 CA--C 1.528 0.122 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 175.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -46.55 -52.24 11.32 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.601 -0.6 . . . . 0.0 111.601 170.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.94 -50.86 71.69 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 117.343 0.571 . . . . 0.0 112.012 -179.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 74.1 mt -52.2 -49.86 63.05 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 118.565 0.621 . . . . 0.0 110.088 175.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.58 -43.69 98.4 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.01 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 15.6 tpt -57.74 -43.87 85.65 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 122.045 -0.409 . . . . 0.0 110.447 175.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 75.4 mt -59.31 -41.34 83.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 174.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 9.0 m-30 -73.99 52.14 0.43 Allowed 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.525 -0.734 . . . . 0.0 110.717 171.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 32.6 p-10 -52.26 -38.03 57.1 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 125.104 1.361 . . . . 0.0 111.67 -177.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -44.98 -36.56 3.46 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.229 1.412 . . . . 0.0 112.678 174.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -80.2 -44.98 18.83 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 118.026 0.376 . . . . 0.0 110.825 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 11.0 mp . . . . . 0 N--CA 1.463 0.195 0 O-C-N 121.969 -0.457 . . . . 0.0 109.874 177.42 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.6 m . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -46.32 -59.06 1.35 Allowed 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 124.63 3.553 . . . . 0.0 113.908 -169.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -53.02 -51.31 62.12 Favored 'General case' 0 N--CA 1.457 -0.101 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 -179.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -61.17 -49.93 75.19 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 122.587 0.355 . . . . 0.0 111.136 -175.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -62.03 -36.8 82.68 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 119.557 -0.857 . . . . 0.0 110.729 178.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.74 -54.75 22.95 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 -178.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 65.8 mt -50.69 -54.69 8.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 124.795 1.238 . . . . 0.0 109.08 175.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.3 -49.14 52.17 Favored Glycine 0 CA--C 1.527 0.821 0 C-N-CA 123.688 0.661 . . . . 0.0 111.766 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.3 tp -66.44 -46.62 75.85 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 122.005 -0.703 . . . . 0.0 110.707 -176.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -56.05 -48.77 75.4 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 118.495 0.589 . . . . 0.0 110.524 174.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 60.2 mt -51.6 -53.43 16.52 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.297 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 174.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -51.9 -55.71 19.71 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 123.529 0.585 . . . . 0.0 111.839 179.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.4 mm -54.92 -48.71 74.59 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.108 0 C-N-CA 123.304 0.642 . . . . 0.0 110.195 -178.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -63.28 -53.45 52.67 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 121.528 0.68 . . . . 0.0 110.581 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -54.98 -31.92 61.17 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.861 1.665 . . . . 0.0 111.799 -178.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.4 tptt -51.06 -42.46 60.56 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 118.833 0.742 . . . . 0.0 110.317 175.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -82.54 -71.79 0.47 Allowed 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 122.198 0.999 . . . . 0.0 109.858 170.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.1 m -56.93 -30.02 63.62 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 126.053 1.741 . . . . 0.0 114.259 -167.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.75 -35.07 51.74 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 124.093 0.854 . . . . 0.0 111.706 174.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -65.21 -20.51 66.47 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 117.992 0.896 . . . . 0.0 111.64 178.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -88.48 2.43 52.86 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.8 0.84 . . . . 0.0 111.362 174.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 50.99 -114.35 2.74 Favored Glycine 0 C--N 1.339 0.721 0 C-N-CA 125.448 1.499 . . . . 0.0 112.117 174.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -56.22 -44.13 79.25 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.599 0.76 . . . . 0.0 110.903 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -81.71 61.98 5.33 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -177.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -69.68 74.2 0.41 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.881 1.272 . . . . 0.0 110.595 -171.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 66.6 p -145.96 171.5 14.75 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 129.186 2.994 . . . . 0.0 106.035 -170.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.4 mt -98.28 113.56 25.54 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 173.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.0 p -90.54 164.42 14.24 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 174.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -34.93 -54.79 0.58 Allowed 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 114.217 1.192 . . . . 0.0 114.217 -172.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -59.21 -47.72 84.27 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 122.639 0.376 . . . . 0.0 111.479 -179.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -62.91 -47.37 83.54 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.094 0.558 . . . . 0.0 109.765 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -55.97 -56.33 22.05 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.736 0.815 . . . . 0.0 109.18 178.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -52.59 -54.14 37.11 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.632 0.773 . . . . 0.0 110.842 178.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -57.46 -47.84 80.76 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 -178.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 58.0 tp -56.13 -55.22 35.7 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 122.723 0.409 . . . . 0.0 110.207 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 28.5 pt -64.41 -42.0 94.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 C-N-CA 119.739 -0.784 . . . . 0.0 110.937 -174.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.57 -50.38 70.21 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.498 0.59 . . . . 0.0 110.165 174.093 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -60.86 -55.54 31.87 Favored 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 122.184 -0.323 . . . . 0.0 110.511 -177.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 52.3 tt0 . . . . . 0 N--CA 1.45 -0.433 0 C-N-CA 123.192 0.597 . . . . 0.0 110.554 -179.729 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 . . . . . 0 N--CA 1.449 -0.523 0 CA-C-O 117.837 -1.078 . . . . 0.0 110.247 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -64.49 -43.99 96.92 Favored 'Isoleucine or valine' 0 C--N 1.342 0.281 0 CA-C-N 120.263 1.392 . . . . 0.0 109.748 -169.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 79.1 t -56.21 -59.62 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 C-N-CA 123.418 0.687 . . . . 0.0 109.38 176.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -57.91 -50.84 71.98 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 117.938 0.335 . . . . 0.0 110.52 -176.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 58.6 tp -52.45 -63.09 1.25 Allowed 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 125.458 1.503 . . . . 0.0 110.343 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 45.4 ttp -60.07 -49.46 77.58 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.031 -175.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -55.87 -55.09 36.66 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 122.436 0.294 . . . . 0.0 110.684 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -61.27 -47.46 85.9 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 123.159 0.287 . . . . 0.0 110.385 -174.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 85.8 mt -62.91 -48.75 77.61 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.749 179.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -62.61 -58.38 7.72 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -176.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 35.81 47.25 0.38 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.542 1.537 . . . . 0.0 112.833 -168.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 64.07 68.68 0.56 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.588 1.555 . . . . 0.0 111.587 179.468 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -133.04 -47.75 0.85 Allowed 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 123.8 0.84 . . . . 0.0 111.527 171.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.1 t70 66.11 -66.47 0.17 Allowed 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 126.924 2.09 . . . . 0.0 113.078 177.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . 0.258 0.0 OUTLIER -65.8 -42.8 90.26 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -169.314 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -145.84 123.54 11.86 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.497 1.119 . . . . 0.0 109.446 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 69.1 t -97.62 133.58 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 170.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -92.73 150.1 20.88 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.469 0.707 . . . . 0.0 109.548 -176.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -40.01 -42.6 1.42 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 126.057 1.743 . . . . 0.0 113.089 175.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -56.14 -34.16 65.85 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.578 -0.701 . . . . 0.0 112.089 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -72.05 -43.44 64.93 Favored 'General case' 0 C--O 1.227 -0.101 0 CA-C-N 118.759 0.709 . . . . 0.0 110.666 177.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -52.08 -49.54 63.35 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 172.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 14.9 mm -60.75 -47.57 92.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 C-N-CA 122.909 0.484 . . . . 0.0 111.078 177.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 41.3 m -53.98 -43.94 70.39 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.315 -0.865 . . . . 0.0 109.754 175.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -65.11 -41.21 95.12 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.07 0.548 . . . . 0.0 111.023 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.6 tp -51.24 -48.66 62.07 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 169.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -52.65 -57.54 13.78 Favored Glycine 0 C--O 1.222 -0.603 0 CA-C-O 118.982 -0.899 . . . . 0.0 111.626 173.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.59 -53.58 44.74 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 118.426 1.113 . . . . 0.0 111.408 -178.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.8 mt -46.89 -47.62 21.41 Favored 'General case' 0 C--O 1.226 -0.17 0 C-N-CA 124.423 1.089 . . . . 0.0 110.71 178.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.97 -58.73 3.72 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.866 0.365 . . . . 0.0 110.973 176.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 21.8 ttt -55.56 -28.59 55.84 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 126.631 1.972 . . . . 0.0 113.749 -169.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 17.7 pt -57.31 -29.01 31.78 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-N 119.363 0.983 . . . . 0.0 112.174 173.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 54.21 16.43 1.19 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.882 1.273 . . . . 0.0 114.104 173.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.25 -44.65 92.36 Favored 'General case' 0 CA--C 1.524 -0.049 0 C-N-CA 124.047 0.939 . . . . 0.0 110.229 -173.251 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -78.81 54.42 1.54 Allowed 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 122.963 0.505 . . . . 0.0 111.089 -179.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 46.06 57.17 5.42 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.344 1.057 . . . . 0.0 110.212 -176.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.2 tp . . . . . 0 CA--C 1.531 0.249 0 C-N-CA 125.452 1.501 . . . . 0.0 112.819 -176.512 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 CA--C 1.54 0.584 0 N-CA-C 116.427 2.01 . . . . 0.0 116.427 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -58.99 -49.2 11.83 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.973 1.782 . . . . 0.0 112.25 175.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 62.6 tp -62.3 -45.56 92.7 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 178.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -54.3 -56.02 22.59 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 120.705 0.288 . . . . 0.0 111.636 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -65.19 -29.14 69.93 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 120.181 -0.608 . . . . 0.0 110.863 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.7 -51.82 60.42 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.777 0.717 . . . . 0.0 110.609 176.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 19.7 pt -62.0 -41.26 90.31 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.131 0 O-C-N 121.945 -0.472 . . . . 0.0 109.765 177.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.22 -52.19 23.64 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 171.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.9 tp -60.74 -50.74 72.25 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.528 0.731 . . . . 0.0 110.462 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 66.7 mt -55.87 -46.54 78.23 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.357 0.526 . . . . 0.0 111.439 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 72.2 mt -60.49 -51.62 70.94 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 C-N-CA 123.846 0.858 . . . . 0.0 109.293 176.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.36 -53.71 33.56 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 15.2 mm -53.89 -46.45 64.18 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 C-N-CA 123.924 0.89 . . . . 0.0 109.999 176.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -54.54 -58.77 6.2 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.522 0.677 . . . . 0.0 110.492 176.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -60.0 -28.82 68.02 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.043 -176.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -62.41 -47.86 82.25 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 175.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -57.75 -49.16 77.52 Favored 'General case' 0 C--N 1.34 0.163 0 CA-C-N 118.349 0.522 . . . . 0.0 110.263 175.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 13.7 m -48.78 -49.96 36.22 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 120.734 0.302 . . . . 0.0 110.569 175.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.19 -42.64 98.71 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 125.502 1.525 . . . . 0.0 112.436 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -71.62 64.31 0.44 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.104 0.952 . . . . 0.0 110.775 176.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 49.2 40.29 17.52 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.946 1.298 . . . . 0.0 111.631 177.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.49 -53.46 1.23 Allowed Glycine 0 CA--C 1.523 0.532 0 N-CA-C 109.785 -1.326 . . . . 0.0 109.785 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 32.9 t0 66.96 153.87 0.09 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.767 2.027 . . . . 0.0 111.667 -173.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp 63.33 166.71 0.13 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.691 1.596 . . . . 0.0 112.094 -177.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -97.21 59.5 1.61 Allowed 'General case' 0 N--CA 1.458 -0.05 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 169.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 45.2 p -144.08 147.2 33.45 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 103.889 -2.634 . . . . 0.0 103.889 174.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 80.9 mt -92.09 113.4 25.66 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 178.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 36.1 t -88.54 167.39 13.46 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 175.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -42.29 -49.0 5.08 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.951 0.901 . . . . 0.0 112.882 -169.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 20.4 ttpp -62.41 -42.77 99.68 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.872 -0.518 . . . . 0.0 111.41 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -64.08 -44.41 92.45 Favored 'General case' 0 C--N 1.334 -0.069 0 O-C-N 121.471 -0.768 . . . . 0.0 109.938 178.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -54.84 -50.94 67.39 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 174.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -52.75 -49.31 65.73 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.466 0.706 . . . . 0.0 110.98 175.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -54.67 -48.31 72.52 Favored 'General case' 0 N--CA 1.464 0.227 0 O-C-N 121.26 -0.9 . . . . 0.0 110.993 175.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 10.0 tt -57.18 -56.23 24.53 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 119.313 -0.375 . . . . 0.0 110.791 178.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 44.8 pt -65.99 -32.05 56.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 118.82 0.736 . . . . 0.0 111.947 -174.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -60.64 -59.12 5.9 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 118.315 0.507 . . . . 0.0 109.89 170.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt . . . . . 0 CA--C 1.533 0.293 0 C-N-CA 123.608 0.763 . . . . 0.0 111.014 -176.746 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 81.5 mt . . . . . 0 CA--C 1.53 0.199 0 N-CA-C 110.575 -0.158 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 62.1 tpp -51.97 -53.32 42.81 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 176.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -55.3 -48.74 73.66 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.816 0.847 . . . . 0.0 111.134 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -55.98 -49.6 73.13 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.313 0.645 . . . . 0.0 110.869 -179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 88.7 mt -64.91 -43.78 91.71 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 120.49 0.186 . . . . 0.0 110.746 178.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -58.52 -48.04 82.17 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.122 0.969 . . . . 0.0 111.509 -178.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 62.45 -69.25 0.06 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 126.603 1.961 . . . . 0.0 111.497 -173.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -158.15 26.34 0.25 Allowed 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.151 1.38 . . . . 0.0 110.725 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -95.75 2.83 54.11 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.048 0.939 . . . . 0.0 112.298 -175.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -49.06 -23.08 1.05 Allowed 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 115.261 1.578 . . . . 0.0 115.261 -171.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -61.38 -48.02 83.17 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 118.456 0.571 . . . . 0.0 110.673 174.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -145.86 96.05 2.74 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 127.332 2.253 . . . . 0.0 109.319 -175.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 93.0 t -92.61 138.86 19.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -91.05 152.9 20.47 Favored 'General case' 0 C--N 1.332 -0.155 0 O-C-N 121.132 -0.98 . . . . 0.0 110.934 -168.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -40.01 -52.77 2.45 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.989 0.916 . . . . 0.0 112.873 173.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -62.06 -22.97 66.2 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 120.88 -1.137 . . . . 0.0 112.342 -178.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -71.53 -36.11 70.92 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 119.139 0.881 . . . . 0.0 110.698 171.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -61.5 -46.63 89.19 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.397 0.999 . . . . 0.0 108.358 174.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 43.8 mm -59.56 -60.41 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.313 178.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 36.0 p -61.31 -30.89 70.77 Favored 'General case' 0 C--O 1.225 -0.199 0 O-C-N 121.379 -0.826 . . . . 0.0 110.752 -177.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.86 -47.26 86.47 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.608 0.64 . . . . 0.0 111.239 169.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.6 -49.66 64.62 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 173.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -46.98 -66.89 1.64 Allowed Glycine 0 C--O 1.221 -0.672 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.476 175.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.25 -50.21 59.65 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.862 1.265 . . . . 0.0 111.516 -177.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 9.0 tt -49.71 -50.26 44.59 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 124.486 1.115 . . . . 0.0 110.408 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.46 -46.95 58.55 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 120.793 0.33 . . . . 0.0 111.344 175.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 23.6 ttp -59.85 -19.71 52.76 Favored 'General case' 0 C--N 1.333 -0.136 0 C-N-CA 126.235 1.814 . . . . 0.0 112.885 -169.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 13.5 tt -47.08 -37.83 4.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-N 118.016 0.371 . . . . 0.0 111.279 169.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 55.66 12.3 0.79 Allowed 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 115.1 1.519 . . . . 0.0 115.1 173.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -62.12 156.64 21.08 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 120.998 -1.064 . . . . 0.0 110.487 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 55.93 39.53 30.57 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.849 0.859 . . . . 0.0 110.785 -177.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 50.0 50.65 18.12 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.93 0.892 . . . . 0.0 110.059 -172.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 13.7 tp . . . . . 0 CA--C 1.532 0.276 0 C-N-CA 124.759 1.224 . . . . 0.0 109.889 -169.951 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.533 0.32 0 CA-C-O 118.25 -0.881 . . . . 0.0 113.156 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.33 -46.71 30.54 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 122.309 2.006 . . . . 0.0 112.547 177.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.5 mt -60.52 -49.47 77.43 Favored 'General case' 0 CA--C 1.528 0.125 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 178.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -58.91 -45.17 90.96 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 122.584 0.353 . . . . 0.0 111.854 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -58.14 -43.32 87.27 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.923 0.889 . . . . 0.0 109.526 175.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.13 -47.96 77.91 Favored 'General case' 0 CA--C 1.529 0.157 0 O-C-N 122.138 -0.351 . . . . 0.0 110.376 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 91.7 mt -53.41 -46.29 58.34 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 173.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.1 -54.75 17.79 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 125.119 1.342 . . . . 0.0 111.415 173.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.8 mt -55.62 -50.68 69.53 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 117.234 0.517 . . . . 0.0 110.27 176.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 mp -57.07 -56.74 17.81 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.563 0.619 . . . . 0.0 111.674 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.5 tt -62.78 -39.29 84.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 O-C-N 121.76 -0.588 . . . . 0.0 110.299 -177.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.94 -54.84 32.44 Favored Glycine 0 CA--C 1.528 0.894 0 N-CA-C 110.72 -0.952 . . . . 0.0 110.72 173.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 69.5 mt -55.45 -44.13 74.77 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 C-N-CA 123.645 0.778 . . . . 0.0 109.699 177.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -57.81 -52.04 67.09 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 118.418 0.554 . . . . 0.0 110.583 177.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -61.18 -34.82 75.68 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 121.874 -0.516 . . . . 0.0 111.08 179.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -67.11 -59.75 3.19 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -78.8 -77.58 0.17 Allowed 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.9 1.28 . . . . 0.0 110.307 -173.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -53.59 -45.06 69.88 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 123.301 0.64 . . . . 0.0 110.46 -177.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.29 9.48 47.96 Favored Glycine 0 CA--C 1.529 0.932 0 CA-C-O 118.369 -1.24 . . . . 0.0 114.233 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 37.66 53.74 1.46 Allowed 'General case' 0 C--O 1.234 0.251 0 C-N-CA 125.731 1.612 . . . . 0.0 112.143 177.667 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 44.96 27.7 0.3 Allowed 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.792 2.037 . . . . 0.0 114.275 178.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 141.65 -45.42 0.95 Allowed Glycine 0 C--N 1.337 0.601 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -173.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -76.49 70.86 3.09 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 117.784 0.792 . . . . 0.0 109.538 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -47.18 127.29 10.39 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.855 1.662 . . . . 0.0 113.409 -170.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -155.83 166.89 32.15 Favored 'General case' 0 N--CA 1.44 -0.972 0 C-N-CA 127.4 2.28 . . . . 0.0 107.169 -178.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 65.3 p -96.0 175.72 6.38 Favored 'General case' 0 N--CA 1.439 -1.019 0 C-N-CA 127.35 2.26 . . . . 0.0 105.809 170.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 tt -88.73 77.24 7.91 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 105.946 -1.872 . . . . 0.0 105.946 -170.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.6 p -93.13 172.51 8.26 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 114.926 -1.033 . . . . 0.0 110.36 -177.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.8 pttp -32.2 -43.94 0.08 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.844 1.657 . . . . 0.0 112.69 168.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -57.08 -58.75 6.84 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 121.62 0.724 . . . . 0.0 110.855 177.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.4 mp0 -61.77 -39.83 93.02 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.886 0.874 . . . . 0.0 109.37 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.3 tp -59.67 -57.99 10.52 Favored 'General case' 0 N--CA 1.453 -0.309 0 O-C-N 121.85 -0.531 . . . . 0.0 109.926 178.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -60.38 -37.38 80.58 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 118.739 0.699 . . . . 0.0 110.975 -177.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -53.17 -56.31 17.4 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 172.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.3 tt -57.39 -50.73 72.04 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 122.875 0.47 . . . . 0.0 110.948 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 34.8 mm -55.44 -53.95 30.54 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 -179.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -56.81 -47.78 79.49 Favored 'General case' 0 CA--C 1.531 0.228 0 O-C-N 122.265 -0.272 . . . . 0.0 111.009 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -66.74 -53.59 31.74 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-O 120.682 0.277 . . . . 0.0 111.699 -174.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 . . . . . 0 N--CA 1.453 -0.312 0 C-N-CA 123.153 0.581 . . . . 0.0 111.792 -174.371 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 118.772 -0.632 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 82.7 mt -60.64 -49.98 82.26 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 CA-C-N 119.579 1.081 . . . . 0.0 109.39 -179.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 69.4 t -56.45 -48.09 80.64 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 123.606 0.763 . . . . 0.0 110.017 177.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -57.41 -50.97 71.28 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 122.128 -0.357 . . . . 0.0 110.628 178.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 79.3 mt -58.07 -51.75 68.38 Favored 'General case' 0 N--CA 1.457 -0.099 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 55.1 mtt -51.99 -52.91 47.37 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 122.499 0.32 . . . . 0.0 110.467 177.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -55.23 -49.59 71.59 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.335 0.654 . . . . 0.0 111.672 178.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -57.95 -52.04 67.14 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 122.881 0.473 . . . . 0.0 111.119 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.8 mt -65.75 -45.22 83.39 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 123.533 0.733 . . . . 0.0 110.347 -177.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -72.92 76.39 1.17 Allowed 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.724 1.209 . . . . 0.0 109.635 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.4 -32.48 1.37 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.961 1.304 . . . . 0.0 113.198 172.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -67.92 -20.09 65.06 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.986 0.915 . . . . 0.0 113.25 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? 69.27 -53.95 0.58 Allowed 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 128.425 2.69 . . . . 0.0 112.222 -175.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -65.3 106.85 1.44 Allowed 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 105.958 -1.867 . . . . 0.0 105.958 166.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -38.42 100.43 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 126.406 1.883 . . . . 0.0 112.617 -176.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -145.08 74.46 1.41 Allowed 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 127.069 2.148 . . . . 0.0 106.974 174.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.6 t -90.48 114.37 27.94 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 N-CA-C 107.07 -1.455 . . . . 0.0 107.07 -173.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -90.13 165.99 13.66 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 -177.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -52.37 -36.49 53.93 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 121.743 -0.598 . . . . 0.0 112.482 178.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -52.5 -50.34 62.98 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.431 -0.793 . . . . 0.0 110.585 171.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -63.22 -43.7 97.35 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.63 -0.508 . . . . 0.0 109.63 179.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -52.52 -46.35 66.67 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.063 0.545 . . . . 0.0 110.779 175.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 22.6 mm -59.47 -50.04 81.37 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 O-C-N 121.719 -0.613 . . . . 0.0 110.735 177.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.9 p -61.18 -32.16 71.91 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 120.734 -1.228 . . . . 0.0 111.492 174.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.22 -43.3 98.5 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 175.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.58 -53.71 50.97 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 172.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -43.4 -55.51 5.15 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 123.813 0.72 . . . . 0.0 111.576 174.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.36 -53.43 55.04 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.416 0.686 . . . . 0.0 112.232 -178.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 53.7 mt -55.9 -38.51 70.3 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 124.49 1.116 . . . . 0.0 110.749 -178.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.65 -54.74 17.15 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 171.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 56.2 ttp -52.9 -40.19 63.32 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.404 1.082 . . . . 0.0 112.535 -173.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 40.2 pt -57.43 -28.61 31.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 CA-C-N 118.57 0.623 . . . . 0.0 111.871 177.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -75.54 66.13 1.87 Allowed 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 168.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -74.31 172.93 10.96 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 127.034 2.134 . . . . 0.0 111.817 -168.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 68.0 -65.41 0.25 Allowed 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 126.328 1.851 . . . . 0.0 110.533 -174.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -41.44 -50.78 3.87 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 125.841 1.657 . . . . 0.0 112.398 -176.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.531 0.24 0 C-N-CA 122.941 0.496 . . . . 0.0 110.777 173.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 N--CA 1.45 -0.45 0 CA-C-O 117.998 -1.001 . . . . 0.0 109.023 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_exo -37.09 -54.77 1.01 Allowed 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 124.944 3.763 . . . . 0.0 115.457 -170.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.88 -51.08 68.81 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 122.143 -0.348 . . . . 0.0 110.4 178.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -65.97 -40.63 91.41 Favored 'General case' 0 N--CA 1.455 -0.211 0 O-C-N 121.901 -0.499 . . . . 0.0 111.012 -178.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.32 -43.94 79.47 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 173.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.2 -47.23 68.47 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 122.587 0.355 . . . . 0.0 110.397 -176.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 18.2 mm -52.45 -51.89 30.03 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 171.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.51 -52.7 27.76 Favored Glycine 0 CA--C 1.528 0.889 0 C-N-CA 124.616 1.103 . . . . 0.0 111.438 178.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.8 tp -57.49 -53.19 61.0 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 122.416 -0.461 . . . . 0.0 110.142 178.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 55.4 tp -55.22 -60.3 3.58 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.974 0.909 . . . . 0.0 111.035 -177.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.1 pp -64.2 -39.25 84.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 C-N-CA 123.016 0.526 . . . . 0.0 110.339 -176.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.01 -56.13 27.06 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 178.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 15.0 mm -64.98 -41.75 92.93 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 O-C-N 121.84 -0.8 . . . . 0.0 109.799 -178.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -52.95 -51.74 60.41 Favored 'General case' 0 CA--C 1.528 0.099 0 O-C-N 122.023 -0.423 . . . . 0.0 110.705 174.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.98 -38.66 79.63 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 123.843 0.857 . . . . 0.0 110.124 175.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -60.0 -47.47 85.69 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 118.484 0.584 . . . . 0.0 109.752 -176.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -64.2 -66.81 0.49 Allowed 'General case' 0 C--O 1.226 -0.178 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 170.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 19.0 m -55.51 -16.43 3.84 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 -169.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.75 -25.9 31.1 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 124.927 1.251 . . . . 0.0 113.876 178.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -71.57 94.16 1.29 Allowed 'General case' 0 C--N 1.342 0.261 0 CA-C-N 119.936 1.868 . . . . 0.0 108.78 177.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 76.92 -44.29 0.46 Allowed 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 127.027 2.131 . . . . 0.0 111.293 179.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.35 150.63 20.05 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.106 -1.198 . . . . 0.0 110.106 169.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -82.04 39.7 0.58 Allowed 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.363 -1.08 . . . . 0.0 111.913 -173.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt 71.06 -49.87 0.68 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.186 1.794 . . . . 0.0 113.536 174.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 48.6 t60 -79.34 -7.95 58.71 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.347 1.459 . . . . 0.0 112.482 -178.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 6.7 t -132.72 133.27 43.28 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 118.907 0.776 . . . . 0.0 110.909 -174.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 27.2 tp -94.41 102.19 14.16 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 105.818 -1.919 . . . . 0.0 105.818 170.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 93.8 p -123.13 172.6 8.45 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.856 1.262 . . . . 0.0 111.422 -169.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.9 tttm -28.53 -58.08 0.13 Allowed 'General case' 0 C--O 1.225 -0.219 0 C-N-CA 128.445 2.698 . . . . 0.0 114.833 -169.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -63.74 -50.2 70.03 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.535 0.683 . . . . 0.0 110.052 -172.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -59.14 -46.61 87.9 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.069 0.948 . . . . 0.0 109.832 178.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 89.3 mt -56.9 -49.98 73.92 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 119.052 -0.499 . . . . 0.0 110.599 176.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm -55.29 -51.2 67.46 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 118.612 0.642 . . . . 0.0 110.179 177.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -51.52 -58.11 7.21 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.475 0.58 . . . . 0.0 110.705 176.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 38.3 tp -51.21 -65.82 0.49 Allowed 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.65 0.38 . . . . 0.0 110.693 179.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 2.2 pp -59.76 -41.36 85.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 CA-C-O 119.047 -0.501 . . . . 0.0 111.289 -171.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -58.48 -46.25 87.02 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 119.305 0.957 . . . . 0.0 110.38 176.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.534 0.349 0 C-N-CA 120.109 -0.636 . . . . 0.0 110.457 179.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 49.4 tp . . . . . 0 CA--C 1.53 0.181 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 25.7 ttt -54.78 -49.09 71.77 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 122.993 0.517 . . . . 0.0 110.071 -179.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -57.62 -55.07 39.59 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 122.32 0.248 . . . . 0.0 110.706 176.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -53.12 -40.91 64.54 Favored 'General case' 0 CA--C 1.527 0.095 0 C-N-CA 125.166 1.386 . . . . 0.0 111.689 -177.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 78.5 mt -65.61 -61.36 2.13 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 171.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -48.55 -50.96 29.93 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.919 0.887 . . . . 0.0 112.445 -173.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -11.77 3.74 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -177.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -54.75 -39.17 68.04 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-N 118.97 0.805 . . . . 0.0 110.953 168.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -165.39 -63.02 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 121.964 0.888 . . . . 0.0 108.971 -170.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -176.32 -178.76 0.99 Allowed 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 129.345 3.058 . . . . 0.0 104.208 -174.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.37 54.16 0.42 Allowed 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 118.906 0.776 . . . . 0.0 110.379 169.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -147.57 70.64 1.17 Allowed 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 127.331 2.252 . . . . 0.0 107.203 -179.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 55.0 t -92.44 126.27 44.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 N-CA-C 106.795 -1.558 . . . . 0.0 106.795 -170.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -93.68 154.84 17.59 Favored 'General case' 0 N--CA 1.462 0.155 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 -177.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -47.78 -48.73 30.12 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.53 0.732 . . . . 0.0 112.806 -173.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -48.96 -47.54 43.8 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.635 -0.666 . . . . 0.0 111.699 173.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -66.53 -39.96 88.87 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -56.58 -49.68 74.18 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 119.05 -0.5 . . . . 0.0 111.304 174.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.46 -42.99 97.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-N 119.62 1.1 . . . . 0.0 110.293 177.472 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 17.7 m -58.3 -42.72 87.29 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.217 179.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -57.96 -50.45 73.34 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.1 1.36 . . . . 0.0 110.927 173.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 3.4 tt -50.95 -53.16 35.35 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 176.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -52.31 -53.18 32.64 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 124.125 0.869 . . . . 0.0 111.389 175.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.36 -42.24 70.08 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 124.183 0.993 . . . . 0.0 111.6 -178.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 53.3 mt -68.57 -62.13 1.53 Allowed 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 120.591 -0.443 . . . . 0.0 110.428 172.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.74 -40.42 69.29 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.193 0.597 . . . . 0.0 112.313 -169.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 4.2 ppp? -58.95 -24.06 62.18 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 118.521 -0.752 . . . . 0.0 112.553 -178.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 95.7 mt -51.48 -37.18 18.78 Favored 'Isoleucine or valine' 0 C--N 1.342 0.254 0 CA-C-N 119.253 0.933 . . . . 0.0 109.264 173.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -93.02 -54.36 3.76 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.762 0.825 . . . . 0.0 108.806 176.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.18 -24.55 64.86 Favored 'General case' 0 C--N 1.34 0.167 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -169.674 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -47.14 -36.06 8.0 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 123.514 0.725 . . . . 0.0 111.659 173.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -44.96 -42.97 8.68 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.282 0.633 . . . . 0.0 111.204 173.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 1.9 mp . . . . . 0 CA--C 1.534 0.328 0 C-N-CA 124.071 0.949 . . . . 0.0 111.38 176.37 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.535 0.377 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -54.52 -54.78 4.04 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 122.191 1.927 . . . . 0.0 111.921 173.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 60.0 tp -60.8 -44.32 96.99 Favored 'General case' 0 C--O 1.224 -0.262 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 178.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -57.79 -47.16 83.35 Favored 'General case' 0 N--CA 1.455 -0.18 0 O-C-N 122.342 -0.224 . . . . 0.0 110.664 -177.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -59.5 -41.78 90.68 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 119.693 -0.194 . . . . 0.0 110.688 173.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.24 -51.52 67.41 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.199 0.454 . . . . 0.0 110.434 -178.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 20.2 mm -53.09 -53.29 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 124.33 1.052 . . . . 0.0 109.009 174.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.05 -51.37 25.29 Favored Glycine 0 CA--C 1.526 0.775 0 C-N-CA 123.941 0.781 . . . . 0.0 111.392 178.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.8 tt -59.42 -56.98 15.1 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.501 0.72 . . . . 0.0 109.981 178.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 54.9 mt -57.53 -49.14 77.32 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 123.445 0.698 . . . . 0.0 111.528 -174.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.5 mm -56.16 -55.85 16.32 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.29 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 173.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.91 -58.85 8.02 Favored Glycine 0 CA--C 1.525 0.678 0 C-N-CA 124.242 0.925 . . . . 0.0 111.712 -176.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.4 tt -59.93 -51.05 77.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 CA-C-N 117.487 0.644 . . . . 0.0 110.121 -178.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -57.83 -38.37 75.48 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.996 0.903 . . . . 0.0 111.125 -178.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -62.57 -33.93 75.94 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 124.035 0.934 . . . . 0.0 111.707 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.13 -50.44 72.81 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 119.876 1.216 . . . . 0.0 109.963 177.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -67.92 -43.89 78.14 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.195 -178.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.7 m -52.82 -47.47 67.66 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.215 0.531 . . . . 0.0 111.324 173.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.81 -43.15 99.62 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 126.261 1.886 . . . . 0.0 112.635 -170.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -77.28 47.0 0.53 Allowed 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 118.548 1.174 . . . . 0.0 112.716 -177.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -179.05 -41.14 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 129.445 3.098 . . . . 0.0 106.133 177.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.14 -63.31 4.34 Favored Glycine 0 C--N 1.338 0.676 0 C-N-CA 124.158 0.885 . . . . 0.0 111.185 169.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -76.74 63.73 2.21 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.398 0.679 . . . . 0.0 111.275 -173.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -150.52 -131.33 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.015 0.926 . . . . 0.0 110.148 169.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 35.6 p-80 151.23 -21.6 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 130.254 3.422 . . . . 0.0 108.53 -171.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 36.2 p -92.67 171.89 8.71 Favored 'General case' 0 N--CA 1.437 -1.076 0 N-CA-C 103.962 -2.607 . . . . 0.0 103.962 166.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.9 mt -99.29 145.31 27.44 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 107.243 -1.392 . . . . 0.0 107.243 168.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.9 p -99.65 158.99 15.37 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.87 0.868 . . . . 0.0 109.15 174.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -48.5 -37.74 18.34 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.01 0.524 . . . . 0.0 110.938 172.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -50.99 -46.23 61.33 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.765 0.826 . . . . 0.0 111.271 174.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -63.09 -43.46 98.44 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 118.069 0.395 . . . . 0.0 110.732 179.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.9 mt -59.97 -48.95 79.59 Favored 'General case' 0 C--O 1.225 -0.219 0 C-N-CA 120.314 -0.554 . . . . 0.0 109.896 177.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -58.58 -42.99 89.31 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 122.678 0.391 . . . . 0.0 110.504 179.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -57.29 -54.07 50.91 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.29 0.636 . . . . 0.0 109.923 174.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.3 tp -57.49 -51.49 69.24 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.018 0.527 . . . . 0.0 111.069 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.5 mp -52.17 -48.17 43.16 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 O-C-N 122.0 -0.437 . . . . 0.0 110.286 176.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -60.59 -39.42 88.02 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.925 0.784 . . . . 0.0 111.916 176.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -59.63 -48.59 81.08 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.359 0.663 . . . . 0.0 110.773 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 . . . . . 0 C--O 1.237 0.421 0 CA-C-O 120.871 0.367 . . . . 0.0 111.245 172.258 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 . . . . . 0 N--CA 1.452 -0.37 0 CA-C-O 119.059 -0.496 . . . . 0.0 109.817 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.0 mt -73.47 -33.34 39.58 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 C-N-CA 119.484 -0.887 . . . . 0.0 112.37 -171.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 65.1 t -65.72 -49.69 75.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 O-C-N 121.317 -0.864 . . . . 0.0 108.909 174.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -54.29 -48.46 71.24 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 174.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.3 tt -52.5 -60.99 2.57 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.282 0.633 . . . . 0.0 109.835 177.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -50.73 -56.96 9.58 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -178.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -49.8 -62.1 1.75 Allowed 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 122.654 0.381 . . . . 0.0 111.301 -178.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -68.71 -43.56 75.76 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -170.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 61.0 tp -64.19 -48.07 77.33 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.497 0.719 . . . . 0.0 110.347 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -72.91 -60.75 2.08 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 122.742 0.417 . . . . 0.0 110.031 -175.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.7 tpp180 59.86 -67.34 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.111 1.765 . . . . 0.0 112.327 -169.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -143.33 7.34 1.54 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.486 1.114 . . . . 0.0 112.31 171.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -76.61 46.76 0.46 Allowed 'General case' 0 CA--C 1.534 0.348 0 O-C-N 120.321 -1.487 . . . . 0.0 110.987 176.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -77.97 40.0 0.31 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.358 1.063 . . . . 0.0 110.645 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -134.06 -72.64 0.49 Allowed 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 125.861 1.664 . . . . 0.0 106.672 -174.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -140.27 144.01 36.22 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 125.963 1.705 . . . . 0.0 107.498 168.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 71.6 t -111.34 136.74 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 126.02 1.728 . . . . 0.0 106.634 172.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -92.54 142.7 27.11 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -173.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -48.53 -39.78 24.57 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.998 -0.439 . . . . 0.0 111.262 171.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -50.15 -43.88 52.28 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.609 -0.682 . . . . 0.0 111.371 172.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -69.81 -39.89 76.25 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 118.717 -0.659 . . . . 0.0 110.247 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -55.1 -48.76 73.14 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.082 0.856 . . . . 0.0 110.437 173.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 32.0 mm -59.06 -56.67 15.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 O-C-N 121.904 -0.497 . . . . 0.0 110.752 175.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 29.1 m -57.42 -38.72 74.8 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 121.812 -0.555 . . . . 0.0 110.401 -176.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -57.26 -45.51 83.95 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.422 1.489 . . . . 0.0 111.034 173.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.4 tt -54.55 -51.8 64.08 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 174.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.59 -53.32 17.24 Favored Glycine 0 CA--C 1.53 0.976 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.814 174.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.16 -53.5 57.35 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.154 0.982 . . . . 0.0 110.938 -178.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.7 mp -55.1 -51.01 67.73 Favored 'General case' 0 CA--C 1.527 0.083 0 O-C-N 122.093 -0.379 . . . . 0.0 110.398 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.31 -47.72 80.79 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 121.19 -0.204 . . . . 0.0 111.321 178.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 28.1 ttt -57.52 -42.31 82.56 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.827 0.851 . . . . 0.0 111.282 178.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 15.8 mm -66.94 -44.84 88.41 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 124.064 0.946 . . . . 0.0 110.4 177.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.9 m-30 -55.33 -44.61 76.05 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 174.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 67.01 -68.05 0.15 Allowed 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 126.457 1.903 . . . . 0.0 114.166 167.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -58.12 -50.88 71.93 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.539 0.736 . . . . 0.0 109.067 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.85 -52.1 63.86 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.16 176.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 33.9 tp . . . . . 0 N--CA 1.456 -0.129 0 C-N-CA 123.069 0.547 . . . . 0.0 110.066 178.532 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 7.0 p . . . . . 0 N--CA 1.449 -0.497 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -74.91 71.35 4.96 Favored 'Trans proline' 0 N--CA 1.454 -0.794 0 C-N-CA 123.118 2.545 . . . . 0.0 109.288 178.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 14.2 tp -57.69 -32.95 67.85 Favored 'General case' 0 N--CA 1.454 -0.239 0 O-C-N 121.697 -0.627 . . . . 0.0 110.171 -177.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -53.0 -45.94 68.13 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.815 -0.553 . . . . 0.0 112.42 170.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.16 -37.82 86.58 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 176.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.63 -50.74 71.32 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 121.323 0.582 . . . . 0.0 110.198 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 68.5 mt -55.3 -47.47 77.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 124.571 1.148 . . . . 0.0 108.687 174.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.64 -48.93 35.02 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 123.88 0.753 . . . . 0.0 111.955 173.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.54 -52.41 65.67 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.529 0.732 . . . . 0.0 109.807 179.018 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -55.5 -52.07 64.91 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.909 0.884 . . . . 0.0 110.378 -179.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 24.1 mt -49.64 -51.8 14.3 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 C-N-CA 125.03 1.332 . . . . 0.0 109.822 172.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -47.48 -64.69 2.72 Favored Glycine 0 CA--C 1.523 0.563 0 C-N-CA 124.565 1.079 . . . . 0.0 110.849 178.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 6.6 tp -58.34 -48.31 85.36 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 CA-C-N 117.311 0.556 . . . . 0.0 110.609 -178.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -47.53 -55.21 9.63 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 122.723 0.409 . . . . 0.0 111.107 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . 0.276 1.0 OUTLIER -80.23 -1.26 39.83 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -174.691 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt -66.72 -53.41 33.74 Favored 'General case' 0 C--N 1.34 0.177 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 167.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -66.11 -47.76 73.12 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.456 172.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 2.0 m -99.75 43.17 1.07 Allowed 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.078 0.951 . . . . 0.0 111.879 -169.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -179.82 -61.59 0.08 OUTLIER Glycine 0 C--N 1.333 0.393 0 O-C-N 121.086 -1.009 . . . . 0.0 111.403 179.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -73.33 71.71 1.26 Allowed 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 177.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 63.74 -155.59 0.32 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.952 1.301 . . . . 0.0 108.23 -168.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.94 -78.81 0.5 Allowed Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -176.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -152.23 163.88 38.52 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.48 1.112 . . . . 0.0 108.56 177.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -99.73 97.17 8.14 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.048 0.939 . . . . 0.0 111.033 -168.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 61.18 9.25 2.37 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.92 1.288 . . . . 0.0 113.178 170.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 33.1 p -145.8 154.16 41.72 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 129.572 3.149 . . . . 0.0 102.831 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 60.9 tp -101.34 145.19 29.23 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 -172.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 21.8 p -92.94 152.45 19.35 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -53.63 -39.35 64.9 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 168.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -49.55 -63.41 1.11 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.136 0.574 . . . . 0.0 111.566 173.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.33 -33.41 71.46 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 121.661 -0.649 . . . . 0.0 111.137 -173.49 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 42.2 tp -58.38 -50.19 74.55 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.925 -0.484 . . . . 0.0 109.858 172.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -59.94 -40.26 88.37 Favored 'General case' 0 N--CA 1.456 -0.173 0 O-C-N 121.791 -0.568 . . . . 0.0 110.758 175.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -54.83 -57.45 11.52 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.987 0.812 . . . . 0.0 109.321 175.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 62.6 tp -52.31 -55.59 20.45 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.271 0.628 . . . . 0.0 110.231 178.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 73.0 mt -54.12 -50.77 52.58 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.132 0 C-N-CA 123.015 0.526 . . . . 0.0 110.068 -178.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -55.21 -46.02 75.89 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 119.157 -0.449 . . . . 0.0 110.614 178.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 5.0 mmtm . . . . . 0 CA--C 1.53 0.183 0 CA-C-N 118.699 0.681 . . . . 0.0 111.105 175.986 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 62.8 tp . . . . . 0 N--CA 1.455 -0.192 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 85.7 mmm -52.32 -52.86 50.74 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.604 0.762 . . . . 0.0 110.15 178.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -54.49 -55.19 31.62 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 122.352 0.261 . . . . 0.0 110.483 178.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -53.07 -52.92 57.0 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.434 0.693 . . . . 0.0 111.083 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 97.0 mt -58.66 -39.3 80.23 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 122.669 0.387 . . . . 0.0 111.091 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -75.53 50.67 0.55 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.26 0.624 . . . . 0.0 112.682 -175.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -60.76 -30.51 70.06 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 121.14 -0.975 . . . . 0.0 109.014 168.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -50.24 -29.46 9.56 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.868 1.667 . . . . 0.0 112.799 169.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt 50.34 51.03 17.59 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.864 1.266 . . . . 0.0 111.055 -176.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -156.38 147.19 21.9 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 -177.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.05 -38.32 70.46 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.971 0.908 . . . . 0.0 110.863 176.263 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -93.05 104.1 16.34 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 174.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 27.8 m -93.06 146.18 6.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -87.83 159.46 18.4 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 121.541 -0.725 . . . . 0.0 110.051 -168.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -44.65 -41.69 6.88 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.934 1.294 . . . . 0.0 112.401 178.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 63.7 tp60 -53.87 -41.49 67.59 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.704 0.684 . . . . 0.0 111.368 175.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -63.47 -43.54 97.03 Favored 'General case' 0 N--CA 1.455 -0.222 0 O-C-N 121.505 -0.747 . . . . 0.0 109.211 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -58.98 -46.97 86.81 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 122.458 0.303 . . . . 0.0 110.846 174.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 13.7 mm -58.08 -46.98 88.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 O-C-N 121.555 -0.715 . . . . 0.0 110.444 176.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 13.2 m -59.76 -40.95 89.91 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.442 -0.787 . . . . 0.0 109.685 177.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -60.7 -41.42 95.17 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 119.114 -0.47 . . . . 0.0 111.046 173.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.9 tt -54.64 -50.24 68.62 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 173.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -49.87 -56.66 11.29 Favored Glycine 0 CA--C 1.526 0.78 0 C-N-CA 123.323 0.487 . . . . 0.0 112.126 174.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.71 -54.82 39.63 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 117.721 0.76 . . . . 0.0 110.914 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 49.7 tp -52.43 -47.95 66.04 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.682 1.193 . . . . 0.0 110.272 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.13 -49.86 76.27 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 122.179 -0.325 . . . . 0.0 110.886 175.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 91.0 mmm -61.61 -26.03 67.72 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.339 0.656 . . . . 0.0 112.677 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 87.0 mt -52.17 -37.28 22.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 CA-C-N 120.05 1.295 . . . . 0.0 109.336 169.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -91.48 26.2 2.37 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.847 0.859 . . . . 0.0 111.86 178.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -45.3 -40.15 7.37 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 124.46 1.104 . . . . 0.0 112.076 177.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -55.63 -47.91 75.82 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.149 0.58 . . . . 0.0 110.873 177.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.37 -45.44 46.95 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.192 0.597 . . . . 0.0 110.064 -178.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 6.4 tt . . . . . 0 CA--C 1.53 0.176 0 C-N-CA 124.689 1.196 . . . . 0.0 109.508 175.865 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.8 ptt? . . . . . 0 N--CA 1.477 0.89 0 CA-C-O 120.186 0.041 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.84 120.75 6.14 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 109.003 -0.739 . . . . 0.0 109.003 172.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.0 p -169.06 162.22 7.81 Favored Pre-proline 0 N--CA 1.451 -0.382 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -169.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -51.75 -45.64 36.95 Favored 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 122.773 2.315 . . . . 0.0 111.224 168.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 60.9 tp -51.73 -58.78 5.41 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 123.484 0.713 . . . . 0.0 110.168 174.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -57.44 -46.97 82.99 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 111.477 0.177 . . . . 0.0 111.477 -177.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -54.63 -45.43 73.72 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 122.757 0.423 . . . . 0.0 110.248 175.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.88 -56.39 12.07 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 -174.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 18.4 pt -60.96 -41.05 87.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.35 -57.01 16.74 Favored Glycine 0 CA--C 1.526 0.733 0 C-N-CA 124.251 0.929 . . . . 0.0 111.068 176.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.7 mt -52.89 -48.81 66.89 Favored 'General case' 0 C--O 1.227 -0.126 0 CA-C-N 117.074 0.437 . . . . 0.0 110.206 175.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.0 tt -60.1 -57.38 13.07 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 120.515 0.198 . . . . 0.0 111.437 -175.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.8 pt -64.78 -38.24 82.21 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 O-C-N 121.527 -0.733 . . . . 0.0 110.612 -178.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.73 -58.85 12.11 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 111.059 -0.817 . . . . 0.0 111.059 177.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -59.51 -40.45 81.9 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 O-C-N 122.014 -0.698 . . . . 0.0 109.158 -178.354 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -53.61 -52.73 58.91 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.484 0.584 . . . . 0.0 111.552 171.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -59.43 -33.01 70.73 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 122.965 0.506 . . . . 0.0 111.11 -178.065 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -71.17 -61.52 1.74 Allowed 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 173.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -43.47 -47.08 7.06 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 125.699 1.6 . . . . 0.0 111.602 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.0 m -39.18 -38.48 0.5 Allowed 'General case' 0 C--O 1.238 0.456 0 C-N-CA 126.266 1.826 . . . . 0.0 113.612 176.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -150.18 77.71 0.23 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 109.099 -1.6 . . . . 0.0 109.099 175.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -52.29 -38.64 58.93 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 119.011 1.405 . . . . 0.0 109.977 170.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -47.97 -39.53 19.69 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.678 1.591 . . . . 0.0 113.032 170.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 174.65 117.94 0.49 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 104.645 -3.382 . . . . 0.0 104.645 -173.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -57.68 85.09 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -166.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -65.63 155.51 35.66 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.545 1.138 . . . . 0.0 108.737 168.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -93.59 -8.82 40.1 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.401 0.681 . . . . 0.0 111.697 -178.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.0 p -126.58 158.89 35.07 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 127.422 2.289 . . . . 0.0 105.037 175.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.2 tp -91.44 126.24 36.46 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 122.835 0.454 . . . . 0.0 109.973 -167.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.5 p -93.96 147.29 23.24 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 122.867 0.467 . . . . 0.0 111.785 -175.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -50.33 -40.95 50.42 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 123.2 0.6 . . . . 0.0 111.377 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -46.9 -57.26 5.13 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.156 0.582 . . . . 0.0 110.536 175.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -72.19 -37.24 69.33 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.493 -173.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 67.3 tp -53.38 -49.25 67.59 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 120.893 0.378 . . . . 0.0 110.305 170.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -65.23 -39.76 93.18 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.611 0.765 . . . . 0.0 110.512 -178.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -55.72 -53.2 59.57 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 121.378 -0.826 . . . . 0.0 110.464 170.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 66.2 tp -54.18 -50.7 66.43 Favored 'General case' 0 C--O 1.223 -0.309 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.0 mt -54.52 -54.17 24.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 C-N-CA 122.931 0.492 . . . . 0.0 110.101 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -55.27 -49.81 71.13 Favored 'General case' 0 CA--C 1.531 0.227 0 O-C-N 121.771 -0.581 . . . . 0.0 111.221 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -58.31 -50.87 72.09 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 120.838 0.351 . . . . 0.0 110.447 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -55.21 -39.44 69.66 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 124.686 1.194 . . . . 0.0 110.799 177.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 72.2 mt -63.04 -55.27 27.02 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 118.649 0.658 . . . . 0.0 109.352 176.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 47.4 m 63.59 -69.95 0.07 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.384 1.474 . . . . 0.0 110.315 -169.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -133.67 16.06 1.36 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 C-N-CA 125.455 1.502 . . . . 0.0 111.482 170.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.79 62.17 1.96 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 108.939 -1.664 . . . . 0.0 108.939 -172.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 p -78.1 50.71 0.92 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.604 1.162 . . . . 0.0 112.455 -174.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 42.4 mmtm 39.53 -75.91 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 129.848 3.259 . . . . 0.0 115.516 169.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 63.8 tp -48.97 -46.91 44.33 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 123.573 0.749 . . . . 0.0 109.236 171.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -61.41 -31.55 71.47 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 122.783 0.433 . . . . 0.0 111.592 177.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -71.14 -45.23 63.96 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 120.861 -1.15 . . . . 0.0 110.316 176.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.86 -42.94 69.13 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 121.37 0.605 . . . . 0.0 109.492 171.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -59.29 -39.12 81.96 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.581 0.753 . . . . 0.0 110.41 174.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.4 mt -68.88 -42.06 82.35 Favored 'Isoleucine or valine' 0 C--N 1.341 0.221 0 CA-C-N 119.216 0.916 . . . . 0.0 110.216 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 70.6 t -56.47 -52.66 50.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 175.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -54.18 -56.62 16.44 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 177.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 36.2 tp -47.46 -63.12 1.13 Allowed 'General case' 0 C--O 1.226 -0.17 0 C-N-CA 124.783 1.233 . . . . 0.0 109.326 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 49.3 ttp -55.8 -53.5 55.88 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 123.252 0.621 . . . . 0.0 110.213 -175.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -55.91 -53.91 51.12 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 122.221 0.208 . . . . 0.0 111.167 -178.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -65.85 -45.26 82.87 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 122.206 -0.309 . . . . 0.0 111.041 -175.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.5 tp -77.66 -55.56 5.25 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.832 0.853 . . . . 0.0 111.319 -169.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -84.09 67.63 9.77 Favored 'General case' 0 C--O 1.231 0.108 0 O-C-N 121.798 -0.564 . . . . 0.0 110.619 -169.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -75.08 72.63 2.21 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.273 0.559 . . . . 0.0 109.786 177.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 78.04 -53.87 0.5 Allowed 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 126.938 2.095 . . . . 0.0 109.577 -178.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -58.87 101.21 0.08 Allowed 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 170.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -126.1 -53.82 1.51 Allowed 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 125.053 1.341 . . . . 0.0 110.762 -172.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.59 -45.52 9.52 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 122.407 1.098 . . . . 0.0 111.423 173.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -142.86 138.7 30.48 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 105.185 -2.154 . . . . 0.0 105.185 169.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.1 t -119.44 142.14 36.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 C-N-CA 125.827 1.651 . . . . 0.0 107.794 -173.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -92.99 144.36 25.33 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 121.364 0.602 . . . . 0.0 110.879 -170.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -42.71 -42.81 3.65 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.186 1.394 . . . . 0.0 113.528 176.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -54.73 -43.62 72.82 Favored 'General case' 0 C--O 1.233 0.217 0 O-C-N 121.358 -0.839 . . . . 0.0 111.064 178.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -64.03 -46.04 86.23 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 -178.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -54.06 -46.08 71.87 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 122.773 0.429 . . . . 0.0 111.033 173.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 12.1 mm -58.4 -52.62 57.08 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 118.602 0.637 . . . . 0.0 110.741 177.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.1 p -59.28 -38.29 79.79 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 120.57 -1.331 . . . . 0.0 111.044 177.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -60.79 -38.98 87.16 Favored 'General case' 0 CA--C 1.529 0.172 0 O-C-N 121.96 -0.463 . . . . 0.0 111.31 173.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.2 tt -53.3 -52.65 58.41 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 173.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.51 -57.92 13.96 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 112.093 -0.403 . . . . 0.0 112.093 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.5 -43.72 80.01 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.432 0.693 . . . . 0.0 111.707 -177.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.2 tp -62.73 -58.75 6.38 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.679 0.792 . . . . 0.0 108.891 177.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -52.69 -38.09 60.01 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.476 0.71 . . . . 0.0 111.463 -178.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 46.0 tpp -50.66 -37.22 39.58 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.319 0.509 . . . . 0.0 112.095 175.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 46.5 mm -58.15 -32.77 45.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 O-C-N 121.37 -0.831 . . . . 0.0 110.66 178.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -75.0 7.39 3.27 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.752 0.821 . . . . 0.0 111.192 179.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -5.2 -68.06 0.0 OUTLIER 'General case' 0 C--N 1.345 0.383 0 C-N-CA 129.461 3.105 . . . . 0.0 115.767 175.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -56.12 -51.91 66.24 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 118.846 0.748 . . . . 0.0 110.682 -177.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.76 -38.07 76.63 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.156 0.582 . . . . 0.0 110.081 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 54.1 tp -55.18 -54.46 43.08 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 122.998 0.519 . . . . 0.0 110.972 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.8 pttm -74.02 -45.59 48.81 Favored 'General case' 0 N--CA 1.462 0.125 0 C-N-CA 120.146 -0.622 . . . . 0.0 110.9 176.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.22 0 CA-C-O 117.203 -1.887 . . . . 0.0 110.513 -173.96 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 86.7 mmm . . . . . 0 N--CA 1.475 0.793 0 N-CA-C 110.437 -0.209 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.59 -19.02 64.44 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -41.38 -49.21 9.14 Favored Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 115.468 1.655 . . . . 0.0 115.468 -169.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -59.88 -44.98 26.79 Favored 'Trans proline' 0 CA--C 1.535 0.526 0 C-N-CA 122.089 1.859 . . . . 0.0 111.644 178.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.65 -50.17 72.25 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 179.374 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -57.25 -40.95 78.69 Favored 'General case' 0 C--O 1.224 -0.272 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 177.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.69 -45.14 81.96 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 122.973 0.509 . . . . 0.0 110.117 172.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.51 -46.41 86.21 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.942 -0.474 . . . . 0.0 110.744 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 27.3 mm -53.98 -48.52 63.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 172.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.65 -52.67 24.07 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 125.018 1.294 . . . . 0.0 111.114 176.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 80.0 mt -59.15 -48.92 79.82 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 117.751 0.776 . . . . 0.0 111.039 176.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 6.0 tt -55.8 -49.21 73.81 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 118.431 0.559 . . . . 0.0 111.455 -178.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 16.9 mm -54.63 -51.19 53.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 C-N-CA 123.997 0.919 . . . . 0.0 108.794 171.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -41.03 -53.58 3.85 Favored Glycine 0 CA--C 1.526 0.746 0 C-N-CA 126.182 1.848 . . . . 0.0 111.534 174.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 44.5 mm -68.17 -62.99 1.03 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 118.016 0.908 . . . . 0.0 110.33 177.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -51.37 -47.84 62.7 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.439 0.696 . . . . 0.0 112.423 -168.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 11.4 p-80 -62.49 -25.92 68.26 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -172.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -59.95 -40.41 88.88 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 118.831 0.742 . . . . 0.0 109.84 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -73.88 -58.9 2.99 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 174.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.7 t -55.98 -33.29 64.69 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.154 0.582 . . . . 0.0 112.494 -169.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.92 -36.17 55.12 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 121.636 -0.665 . . . . 0.0 112.039 174.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 34.1 mtmm -77.59 66.5 3.32 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.655 -0.909 . . . . 0.0 110.353 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 65.61 22.82 11.71 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 126.421 1.888 . . . . 0.0 113.759 173.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.51 51.93 4.04 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 110.381 -1.088 . . . . 0.0 110.381 171.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -60.09 152.41 24.29 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.487 0.715 . . . . 0.0 110.425 -173.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt 66.56 20.57 10.81 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.954 1.302 . . . . 0.0 111.89 -176.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 9.6 m80 68.24 62.86 0.37 Allowed 'General case' 0 C--O 1.234 0.275 0 C-N-CA 124.73 1.212 . . . . 0.0 109.298 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 35.7 p -130.91 173.14 11.27 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 124.129 0.972 . . . . 0.0 109.39 -176.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 50.8 tp -128.61 102.05 6.43 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 129.434 3.094 . . . . 0.0 105.332 -177.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 94.1 p -92.52 167.15 12.14 Favored 'General case' 0 CA--C 1.529 0.152 0 O-C-N 121.954 -0.466 . . . . 0.0 111.867 -169.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.39 -46.92 13.52 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.758 1.223 . . . . 0.0 111.48 179.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -50.92 -57.83 7.54 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.195 0.998 . . . . 0.0 109.739 176.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -59.81 -42.93 94.58 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.924 -176.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 63.0 mt -56.5 -56.6 19.25 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 118.532 -0.747 . . . . 0.0 110.466 175.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -58.82 -38.39 78.52 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.873 1.215 . . . . 0.0 111.288 -176.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -59.54 -53.72 54.79 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 121.51 -0.744 . . . . 0.0 110.846 173.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 68.5 tp -54.08 -52.24 61.59 Favored 'General case' 0 C--O 1.225 -0.222 0 C-N-CA 122.727 0.411 . . . . 0.0 110.339 178.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 9.9 mm -50.52 -52.78 14.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 C-N-CA 124.47 1.108 . . . . 0.0 110.204 177.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -54.39 -50.9 66.45 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.051 0.387 . . . . 0.0 110.862 177.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.51 -42.57 96.69 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.021 0.373 . . . . 0.0 111.863 -179.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -60.12 -39.55 86.65 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.04 0.536 . . . . 0.0 111.101 173.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 35.0 tp -72.93 73.14 1.13 Allowed 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.598 -0.689 . . . . 0.0 110.275 -176.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 15.3 t -146.45 -153.93 0.52 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.864 1.266 . . . . 0.0 109.773 -178.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 7.0 tp -70.06 65.62 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 126.981 2.112 . . . . 0.0 113.182 -172.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -170.36 39.33 0.19 Allowed Glycine 0 CA--C 1.526 0.766 0 N-CA-C 107.795 -2.122 . . . . 0.0 107.795 169.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.61 47.96 0.18 Allowed 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 129.245 3.018 . . . . 0.0 114.641 -165.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -149.0 -71.86 0.19 Allowed 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 106.012 -1.848 . . . . 0.0 106.012 169.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.23 -53.68 55.32 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 123.433 0.693 . . . . 0.0 109.788 176.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 15.8 tp60 -64.34 -31.48 72.71 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 122.094 -0.379 . . . . 0.0 110.453 -175.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -75.02 -42.21 57.79 Favored 'General case' 0 N--CA 1.456 -0.142 0 O-C-N 121.868 -0.52 . . . . 0.0 111.175 178.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.13 -44.19 67.54 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 170.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -61.92 -38.55 88.84 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 117.915 -1.041 . . . . 0.0 111.582 173.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 42.7 mt -58.12 -49.88 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-N 120.767 1.621 . . . . 0.0 109.583 174.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 92.4 t -58.14 -52.1 62.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -57.68 -48.49 79.37 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 122.69 0.396 . . . . 0.0 110.825 -179.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 11.8 tp -53.02 -61.13 2.49 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.461 1.105 . . . . 0.0 109.122 176.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -50.69 -55.38 16.84 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.07 0.548 . . . . 0.0 109.556 -176.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -54.96 -60.15 3.77 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 122.257 0.223 . . . . 0.0 111.184 179.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -56.27 -43.6 78.93 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 123.829 0.852 . . . . 0.0 111.437 -172.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 11.1 mp -76.31 -41.57 48.12 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 119.605 -0.236 . . . . 0.0 111.051 -178.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -78.26 60.15 2.45 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -171.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -80.74 64.18 5.42 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 105.013 -2.218 . . . . 0.0 105.013 165.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 69.67 -41.24 0.48 Allowed 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.817 2.047 . . . . 0.0 113.016 -173.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -70.45 23.7 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 -169.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -48.54 -32.36 7.89 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 120.105 1.32 . . . . 0.0 112.575 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -58.3 -47.51 83.44 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 125.266 1.427 . . . . 0.0 111.074 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -146.62 93.6 2.31 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 126.015 1.726 . . . . 0.0 108.53 -178.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 90.9 t -92.08 141.96 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 N-CA-C 106.061 -1.829 . . . . 0.0 106.061 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -91.35 147.03 23.32 Favored 'General case' 0 C--N 1.332 -0.174 0 O-C-N 120.952 -1.092 . . . . 0.0 109.712 -171.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -42.12 -45.11 3.89 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 174.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -57.36 -33.54 67.89 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.153 -0.967 . . . . 0.0 111.959 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -71.34 -40.36 70.77 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 121.512 -0.743 . . . . 0.0 109.969 176.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -57.11 -45.92 83.04 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.857 -0.527 . . . . 0.0 110.41 171.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 22.8 mm -57.21 -48.43 82.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 O-C-N 121.29 -0.881 . . . . 0.0 110.697 172.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 29.4 m -55.94 -39.83 72.29 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 121.798 -0.564 . . . . 0.0 110.443 176.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -60.88 -42.81 98.68 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.325 0.65 . . . . 0.0 111.44 174.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 tt -53.06 -48.53 67.62 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 172.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.56 -57.65 8.17 Favored Glycine 0 CA--C 1.531 1.067 0 N-CA-C 111.471 -0.651 . . . . 0.0 111.471 170.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.04 -41.67 71.69 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 125.333 1.453 . . . . 0.0 112.04 -176.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 78.4 mt -56.62 -59.23 5.3 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 173.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.86 -39.93 75.22 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.997 -0.44 . . . . 0.0 111.374 -179.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 47.4 mtt -56.93 -14.01 3.17 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -178.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 2.0 pp -57.42 -18.95 9.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 CA-C-N 119.832 1.196 . . . . 0.0 112.065 169.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 12.8 m-30 -63.73 78.25 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.834 0.743 . . . . 0.0 109.877 169.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.92 151.88 6.21 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 124.341 1.056 . . . . 0.0 112.438 -176.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 66.57 -68.39 0.14 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 125.659 1.584 . . . . 0.0 110.091 -171.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -46.59 -50.01 18.07 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.901 1.281 . . . . 0.0 111.609 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 97.4 mt -119.09 38.67 3.76 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.263 1.025 . . . . 0.0 109.709 173.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 22.8 mtmm 69.55 -68.13 0.2 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.401 1.48 . . . . 0.0 110.919 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.241 0 CA-C-O 117.327 -1.818 . . . . 0.0 110.446 -172.874 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 82.2 mtp . . . . . 0 N--CA 1.476 0.83 0 CA-C-O 120.633 0.254 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.4 73.18 0.99 Allowed 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.663 0.785 . . . . 0.0 110.205 -178.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -32.99 -57.41 0.51 Allowed Pre-proline 0 CA--C 1.54 0.567 0 C-N-CA 126.519 1.928 . . . . 0.0 115.267 -175.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -55.2 -50.64 12.37 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 122.265 1.977 . . . . 0.0 112.6 177.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.8 mp -60.66 -42.81 97.77 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -60.15 -54.63 43.54 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 122.398 0.279 . . . . 0.0 110.804 -177.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -63.83 -33.21 75.16 Favored 'General case' 0 CA--C 1.531 0.212 0 O-C-N 122.072 -0.392 . . . . 0.0 110.723 178.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.4 -51.91 63.83 Favored 'General case' 0 C--N 1.34 0.162 0 CA-C-N 118.398 0.545 . . . . 0.0 109.75 178.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.2 mm -49.67 -59.02 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.339 0.152 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 172.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.52 -54.97 9.82 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.649 -0.58 . . . . 0.0 111.649 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.26 -57.81 10.04 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.532 0.733 . . . . 0.0 110.197 -176.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 55.8 mt -61.68 -49.42 76.57 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 123.117 0.567 . . . . 0.0 111.066 -173.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.2 mp -70.37 -33.91 55.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -178.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.11 -54.39 31.89 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 170.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.9 mt -52.57 -51.86 31.14 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 117.532 0.666 . . . . 0.0 109.51 175.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -51.09 -46.3 61.76 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 121.205 0.526 . . . . 0.0 110.885 176.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 54.6 m80 -70.25 -10.94 60.41 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -57.15 -38.96 74.3 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 120.698 1.59 . . . . 0.0 108.098 167.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -81.63 -70.07 0.57 Allowed 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.154 0.982 . . . . 0.0 110.421 170.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.8 m -68.2 -5.95 20.86 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 -168.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.06 -36.38 93.38 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.366 -1.094 . . . . 0.0 110.366 169.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -63.0 -50.42 70.82 Favored 'General case' 0 C--N 1.341 0.209 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 172.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -81.03 54.2 2.16 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 122.78 0.432 . . . . 0.0 110.902 178.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.79 158.79 23.59 Favored Glycine 0 CA--C 1.531 1.078 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 175.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . 0.29 0.7 OUTLIER 68.69 -44.3 0.52 Allowed 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 126.56 1.944 . . . . 0.0 113.124 -175.74 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -71.49 -50.74 28.55 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 171.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 53.85 53.06 11.87 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.097 1.359 . . . . 0.0 110.65 -176.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.9 p -134.68 172.91 12.28 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 127.621 2.369 . . . . 0.0 105.985 174.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.6 tt -124.44 105.7 9.62 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.757 1.223 . . . . 0.0 108.136 -171.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.8 p -92.79 167.83 11.6 Favored 'General case' 0 N--CA 1.462 0.174 0 O-C-N 120.861 -1.149 . . . . 0.0 111.39 -173.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.7 pttt -33.46 -40.05 0.06 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.616 1.966 . . . . 0.0 114.714 172.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -61.8 -56.75 16.2 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.855 0.836 . . . . 0.0 110.279 177.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.4 mp0 -62.16 -39.6 93.17 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 124.215 1.006 . . . . 0.0 110.204 178.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.0 tp -58.27 -52.91 63.6 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 176.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -53.73 -49.09 68.9 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 177.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 54.1 tt0 -51.98 -56.62 13.11 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 122.644 0.378 . . . . 0.0 110.886 177.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 49.3 tp -55.29 -59.23 5.08 Favored 'General case' 0 N--CA 1.458 -0.049 0 C-N-CA 123.768 0.827 . . . . 0.0 110.301 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 33.9 mm -53.37 -51.66 38.98 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 C-N-CA 123.766 0.826 . . . . 0.0 109.265 -177.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -52.08 -50.0 62.45 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.453 0.701 . . . . 0.0 110.609 177.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -59.77 -46.13 90.13 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 117.845 0.293 . . . . 0.0 111.349 178.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -64.08 -32.61 74.23 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 178.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.88 67.3 2.25 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.292 1.037 . . . . 0.0 110.098 -173.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.0 t -77.99 -161.89 0.29 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.864 0.865 . . . . 0.0 108.972 169.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.5 pt -75.38 47.3 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 O-C-N 121.278 -0.888 . . . . 0.0 111.27 177.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.58 50.16 4.18 Favored Glycine 0 CA--C 1.527 0.797 0 O-C-N 120.816 -1.178 . . . . 0.0 111.236 -176.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.3 p -56.04 -52.79 62.98 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 124.603 1.161 . . . . 0.0 109.524 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.88 76.06 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.152 1.381 . . . . 0.0 111.138 172.132 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.1 mt 74.65 -50.11 0.67 Allowed 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 126.835 2.054 . . . . 0.0 113.874 169.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -42.9 -48.19 5.78 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -170.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -64.1 -39.03 93.16 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 120.814 -1.179 . . . . 0.0 111.807 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.6 -39.28 87.57 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 173.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -61.92 -35.27 77.88 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 118.886 -0.578 . . . . 0.0 111.107 171.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.5 mm -66.4 -42.99 91.38 Favored 'Isoleucine or valine' 0 C--N 1.343 0.313 0 CA-C-N 119.854 1.207 . . . . 0.0 109.998 175.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 92.7 t -58.12 -46.68 88.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 O-C-N 121.493 -0.754 . . . . 0.0 109.981 173.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -56.39 -46.27 80.2 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.912 -0.493 . . . . 0.0 110.448 176.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.1 tp -57.58 -50.43 73.14 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 122.864 0.466 . . . . 0.0 110.171 176.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.1 ttt -52.68 -50.0 64.15 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 122.881 0.473 . . . . 0.0 110.145 178.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -57.85 -53.47 57.9 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 122.648 0.379 . . . . 0.0 111.082 176.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -51.12 -47.54 61.95 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 123.816 0.846 . . . . 0.0 111.005 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.97 -58.55 6.4 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 176.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -68.74 -15.41 63.5 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -169.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 32.3 ptt-85 -18.12 -58.18 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 128.013 2.525 . . . . 0.0 116.284 -172.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -85.24 44.12 1.06 Allowed 'General case' 0 CA--C 1.535 0.401 0 O-C-N 120.916 -1.115 . . . . 0.0 110.061 -174.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 74.7 tttt 43.3 32.74 0.51 Allowed 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.588 1.555 . . . . 0.0 110.966 -168.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -84.0 72.3 10.46 Favored 'General case' 0 C--O 1.224 -0.26 0 O-C-N 121.379 -0.825 . . . . 0.0 110.389 -168.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -23.88 13.42 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.87 0.868 . . . . 0.0 112.357 171.399 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -103.8 103.75 13.66 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 105.443 -2.058 . . . . 0.0 105.443 167.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.9 t -91.27 131.53 38.15 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 -170.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -92.2 139.09 30.97 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 106.471 -1.678 . . . . 0.0 106.471 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -39.4 -35.64 0.29 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.351 1.861 . . . . 0.0 113.145 172.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -51.09 -39.13 55.37 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 120.677 -1.264 . . . . 0.0 112.743 172.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.03 -36.92 83.16 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 120.946 -1.097 . . . . 0.0 111.173 174.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -60.85 -44.5 96.92 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 173.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.4 mp -56.15 -47.2 80.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 O-C-N 121.801 -0.562 . . . . 0.0 110.703 170.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.7 m -56.25 -47.64 78.11 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -51.46 -52.32 47.39 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.595 1.158 . . . . 0.0 110.765 172.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.1 tp -56.5 -52.38 64.95 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -51.51 -55.52 19.53 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 178.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.23 -55.86 29.22 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.355 0.662 . . . . 0.0 111.142 -178.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -60.27 -39.48 87.0 Favored 'General case' 0 CA--C 1.527 0.077 0 C-N-CA 122.748 0.419 . . . . 0.0 111.075 -175.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.45 -55.54 15.19 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 121.818 -0.551 . . . . 0.0 110.38 174.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 16.4 tpt -54.8 -43.76 73.17 Favored 'General case' 0 CA--C 1.528 0.105 0 C-N-CA 124.239 1.016 . . . . 0.0 111.631 -172.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.4 tp -60.59 -25.09 33.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-O 119.403 -0.332 . . . . 0.0 111.491 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -77.91 53.47 1.16 Allowed 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.095 -1.003 . . . . 0.0 109.732 171.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -49.31 -47.79 46.76 Favored 'General case' 0 CA--C 1.527 0.066 0 C-N-CA 125.321 1.448 . . . . 0.0 111.532 -170.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -62.82 -41.92 99.51 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.364 0.666 . . . . 0.0 110.406 -178.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.79 -41.73 82.72 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.3 tt -61.08 -56.06 25.3 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 123.072 0.549 . . . . 0.0 110.314 179.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -80.62 -30.67 36.75 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -172.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.232 0 CA-C-O 117.488 -1.729 . . . . 0.0 110.649 -170.508 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 53.0 mtt . . . . . 0 N--CA 1.474 0.74 0 N-CA-C 110.673 -0.121 . . . . 0.0 110.673 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 65.25 -67.0 0.13 Allowed 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 126.718 2.007 . . . . 0.0 112.755 177.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 15.3 m -163.12 87.18 1.31 Allowed Pre-proline 0 CA--C 1.532 0.271 0 C-N-CA 126.459 1.904 . . . . 0.0 106.601 179.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -38.76 -55.04 1.45 Allowed 'Trans proline' 0 N--CA 1.459 -0.552 1 C-N-CA 125.328 4.019 . . . . 0.0 115.354 -169.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -57.37 -42.32 81.88 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.862 -0.524 . . . . 0.0 112.297 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -71.3 -46.9 59.67 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 122.975 0.51 . . . . 0.0 109.734 -177.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -48.91 -49.11 41.58 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.297 0.639 . . . . 0.0 109.309 171.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.47 -57.25 8.72 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.75 0.42 . . . . 0.0 111.079 -174.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 13.2 tt -62.73 -39.52 85.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 120.728 -0.389 . . . . 0.0 109.992 -177.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.18 -53.18 46.68 Favored Glycine 0 CA--C 1.528 0.883 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 174.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -52.82 -54.83 28.66 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.899 0.879 . . . . 0.0 109.256 177.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 tt -53.91 -52.73 59.62 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.232 0.613 . . . . 0.0 110.796 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 60.9 mt -55.26 -52.74 42.35 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.233 0 C-N-CA 123.376 0.67 . . . . 0.0 109.878 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.96 -54.64 33.89 Favored Glycine 0 CA--C 1.529 0.932 0 N-CA-C 111.289 -0.724 . . . . 0.0 111.289 -178.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.6 mp -59.77 -43.56 91.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 O-C-N 122.088 -0.654 . . . . 0.0 110.084 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -60.02 -50.04 75.29 Favored 'General case' 0 N--CA 1.457 -0.097 0 CA-C-N 118.887 0.767 . . . . 0.0 110.946 177.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -52.17 -42.31 63.33 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.092 0.957 . . . . 0.0 109.974 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -70.5 -60.21 2.4 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -58.93 -38.16 78.34 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 125.022 1.329 . . . . 0.0 111.42 -169.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 10.8 t -72.56 58.77 0.43 Allowed 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.558 1.143 . . . . 0.0 109.547 171.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 44.42 44.45 8.02 Favored Glycine 0 CA--C 1.529 0.924 0 C-N-CA 125.628 1.585 . . . . 0.0 113.746 174.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 20.1 mtmm 54.44 31.1 14.0 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.972 0.909 . . . . 0.0 112.072 -178.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 64.59 -60.98 0.21 Allowed 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 128.104 2.562 . . . . 0.0 114.561 178.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -36.27 105.53 0.03 OUTLIER Glycine 0 CA--C 1.53 1.031 0 C-N-CA 125.14 1.352 . . . . 0.0 112.922 -171.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 23.8 t70 72.06 -55.38 0.67 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.865 1.666 . . . . 0.0 111.568 -174.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -74.58 56.56 0.69 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.546 0.738 . . . . 0.0 111.417 178.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -77.28 19.08 0.35 Allowed 'General case' 0 CA--C 1.539 0.544 0 O-C-N 120.823 -1.173 . . . . 0.0 112.147 -177.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 68.1 p -146.58 170.4 16.98 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 126.539 1.936 . . . . 0.0 106.424 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 10.9 mp -91.65 105.54 17.81 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 106.514 -1.661 . . . . 0.0 106.514 176.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 8.7 t -94.33 175.37 6.71 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.119 1.368 . . . . 0.0 110.595 173.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -26.82 -64.68 0.07 Allowed 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 128.127 2.571 . . . . 0.0 114.157 -171.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -58.88 -53.34 59.49 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 118.116 0.416 . . . . 0.0 110.071 -174.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -54.84 -46.06 74.57 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.506 0.722 . . . . 0.0 110.321 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.19 -57.9 9.77 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.245 0.618 . . . . 0.0 110.354 -178.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -53.92 -46.82 71.58 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 123.104 0.562 . . . . 0.0 110.352 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 52.0 tt0 -57.11 -47.96 79.79 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.508 0.723 . . . . 0.0 109.914 177.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 39.8 tp -60.59 -56.05 25.98 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -176.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 31.3 pt -60.08 -47.55 91.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.354 -174.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -64.67 -37.84 88.95 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 118.981 0.81 . . . . 0.0 111.051 -177.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -61.87 -48.36 80.89 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 118.159 0.436 . . . . 0.0 110.579 175.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -67.14 -27.26 67.16 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 178.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 15.4 tp -67.11 81.3 0.13 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.66 0.784 . . . . 0.0 110.79 -177.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 4.2 t -67.66 66.55 0.09 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.432 1.893 . . . . 0.0 110.704 173.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 9.4 pt -43.4 100.76 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 C-N-CA 127.185 2.194 . . . . 0.0 112.663 -176.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 133.4 -34.43 2.43 Favored Glycine 0 C--N 1.336 0.562 0 N-CA-C 110.132 -1.187 . . . . 0.0 110.132 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 4.1 m -77.34 67.02 3.21 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 125.035 1.334 . . . . 0.0 108.001 175.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -34.97 -54.08 0.58 Allowed 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 126.922 2.089 . . . . 0.0 113.438 -171.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -58.35 -55.81 30.21 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 122.826 0.45 . . . . 0.0 110.015 -179.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -55.5 -46.1 76.98 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.515 0.726 . . . . 0.0 109.499 178.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -62.27 -45.19 94.39 Favored 'General case' 0 N--CA 1.455 -0.21 0 O-C-N 121.074 -1.016 . . . . 0.0 111.883 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.3 -44.16 68.11 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 174.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -59.54 -44.35 93.24 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 118.426 -0.797 . . . . 0.0 109.914 173.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 13.1 mm -62.18 -52.01 65.51 Favored 'Isoleucine or valine' 0 C--N 1.343 0.287 0 CA-C-N 120.072 1.305 . . . . 0.0 109.893 -176.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 11.5 p -63.84 -40.77 90.25 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.958 -178.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 66.1 tttp -58.02 -51.6 68.98 Favored 'General case' 0 N--CA 1.456 -0.165 0 O-C-N 121.955 -0.466 . . . . 0.0 110.232 176.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 7.3 mp -59.0 -50.29 74.67 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -47.11 -59.42 3.15 Favored 'General case' 0 C--O 1.225 -0.215 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 177.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -53.21 -54.8 30.77 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.838 0.455 . . . . 0.0 111.163 178.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -58.02 -40.11 80.01 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.991 0.916 . . . . 0.0 112.643 -173.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -80.23 -43.32 21.62 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.655 0.662 . . . . 0.0 110.501 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -54.6 -59.71 4.34 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 124.455 1.102 . . . . 0.0 111.508 -178.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 70.66 -59.53 0.53 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.447 1.499 . . . . 0.0 109.972 -168.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -168.89 -39.88 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.36 1.464 . . . . 0.0 111.054 179.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 7.6 pttm -56.96 -34.46 68.08 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -170.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 16.2 t70 60.34 -70.2 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 127.784 2.434 . . . . 0.0 113.283 177.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.5 23.29 0.12 Allowed 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -168.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -147.09 97.82 2.94 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 125.025 1.33 . . . . 0.0 107.986 171.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 90.1 t -115.57 117.03 54.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 N-CA-C 106.198 -1.778 . . . . 0.0 106.198 168.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -90.45 159.63 16.45 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 123.215 0.606 . . . . 0.0 109.914 -169.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -43.78 -48.41 8.13 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.183 0.593 . . . . 0.0 112.255 174.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -51.44 -47.91 62.89 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 121.852 -0.53 . . . . 0.0 110.578 174.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -66.29 -33.15 75.09 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 123.044 0.538 . . . . 0.0 110.538 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -58.82 -47.89 83.23 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 118.829 0.74 . . . . 0.0 110.156 172.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -62.4 -44.92 99.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 C-N-CA 119.677 -0.809 . . . . 0.0 109.679 177.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 22.6 m -56.23 -37.52 69.83 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.836 -0.54 . . . . 0.0 111.312 174.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -62.07 -50.04 73.55 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 124.236 1.015 . . . . 0.0 109.524 176.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 5.8 tt -52.2 -52.21 53.6 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.376 0.67 . . . . 0.0 109.279 174.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.88 -59.91 7.57 Favored Glycine 0 CA--C 1.524 0.642 0 C-N-CA 124.044 0.83 . . . . 0.0 111.504 176.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.82 -41.41 67.33 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 125.088 1.355 . . . . 0.0 111.255 -178.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 51.2 tp -63.57 -55.61 22.47 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.55 -41.51 75.82 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 113.383 0.882 . . . . 0.0 113.383 -174.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 3.7 ppp? -57.24 -19.91 24.19 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -168.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 10.6 pt -61.56 -35.81 69.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-N 118.638 0.654 . . . . 0.0 110.304 174.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 63.44 165.99 0.13 Allowed 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 126.077 1.751 . . . . 0.0 113.243 -177.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 48.8 t30 60.81 -76.65 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 125.296 1.438 . . . . 0.0 109.979 -168.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -68.62 166.43 17.21 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 168.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 69.23 -60.75 0.45 Allowed 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 125.812 1.645 . . . . 0.0 109.918 -169.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 9.7 mp -52.89 -50.36 64.03 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.99 0.916 . . . . 0.0 109.253 170.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -96.96 37.21 1.32 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.621 0.768 . . . . 0.0 110.722 169.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.13 0 CA-C-O 117.0 -2.0 . . . . 0.0 113.138 177.236 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 tmt? . . . . . 0 N--CA 1.476 0.841 0 CA-C-O 120.639 0.257 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.27 68.1 0.49 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.533 1.133 . . . . 0.0 112.893 -169.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.0 p -64.22 164.03 21.1 Favored Pre-proline 0 CA--C 1.538 0.492 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 169.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -49.6 -42.87 41.58 Favored 'Trans proline' 0 N--CA 1.457 -0.673 0 C-N-CA 122.432 2.088 . . . . 0.0 111.8 169.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.9 tt -60.94 -51.72 68.07 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 122.826 0.45 . . . . 0.0 110.162 176.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -58.53 -46.35 86.98 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 120.693 0.283 . . . . 0.0 111.088 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -52.73 -48.28 66.78 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 122.937 0.495 . . . . 0.0 110.002 172.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.03 -51.95 64.78 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 122.307 0.243 . . . . 0.0 110.807 -173.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.2 pt -61.66 -39.66 84.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.02 177.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.03 -54.93 23.68 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.46 -0.656 . . . . 0.0 111.46 174.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.5 mp -56.26 -51.52 67.85 Favored 'General case' 0 N--CA 1.454 -0.228 0 O-C-N 122.221 -0.576 . . . . 0.0 109.861 175.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 69.3 tp -52.61 -55.17 24.27 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 118.295 0.498 . . . . 0.0 112.112 -178.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.1 pt -60.34 -41.17 86.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-O 119.005 -0.522 . . . . 0.0 109.772 -178.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -52.95 -54.51 28.35 Favored Glycine 0 CA--C 1.533 1.163 0 N-CA-C 111.61 -0.596 . . . . 0.0 111.61 171.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.5 mp -53.25 -50.45 46.89 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 C-N-CA 124.194 0.997 . . . . 0.0 110.06 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -57.24 -50.47 72.79 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.437 0.637 . . . . 0.0 110.423 177.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -56.21 -31.42 63.47 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 123.999 0.92 . . . . 0.0 111.751 -177.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -48.93 -49.08 41.92 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 119.381 0.992 . . . . 0.0 110.379 173.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -76.75 -63.45 1.35 Allowed 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.517 -0.919 . . . . 0.0 108.517 -177.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.0 m -55.34 -39.38 69.94 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.45 0.7 . . . . 0.0 112.539 -172.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -47.75 -44.18 23.51 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 124.29 0.948 . . . . 0.0 112.031 177.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -62.93 -23.38 67.35 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 118.014 0.907 . . . . 0.0 112.431 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -103.41 7.39 38.04 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.072 0.949 . . . . 0.0 110.985 175.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.99 115.94 0.09 OUTLIER Glycine 0 CA--C 1.529 0.933 0 N-CA-C 107.76 -2.136 . . . . 0.0 107.76 -168.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -77.18 61.46 2.09 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 118.344 1.072 . . . . 0.0 112.589 -172.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.3 pttm -78.98 51.36 1.12 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.072 1.349 . . . . 0.0 108.875 169.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 46.08 46.92 12.98 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 126.281 1.832 . . . . 0.0 112.726 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.2 t -147.09 164.59 32.57 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 121.715 -0.616 . . . . 0.0 109.673 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.7 tt -142.46 118.75 10.82 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 104.46 -2.422 . . . . 0.0 104.46 172.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.8 t -116.86 168.97 9.75 Favored 'General case' 0 N--CA 1.462 0.126 0 C-N-CA 123.962 0.905 . . . . 0.0 111.43 -169.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.7 tttp -21.56 -60.96 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 129.465 3.106 . . . . 0.0 114.007 -175.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -52.55 -60.89 2.69 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.106 0.962 . . . . 0.0 110.316 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -67.0 -27.92 67.83 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 119.095 -0.478 . . . . 0.0 111.453 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.53 -53.75 53.71 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 174.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -55.34 -52.82 62.26 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 123.451 0.7 . . . . 0.0 110.139 177.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -53.82 -49.65 67.92 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 110.585 -0.154 . . . . 0.0 110.585 177.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.9 tp -53.95 -59.83 4.12 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 118.294 -0.86 . . . . 0.0 109.595 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 38.6 pt -58.04 -43.64 85.52 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 CA-C-N 119.387 0.994 . . . . 0.0 110.73 -176.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.2 tp60 -58.84 -48.86 79.86 Favored 'General case' 0 N--CA 1.453 -0.307 0 O-C-N 122.17 -0.331 . . . . 0.0 111.39 -178.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -76.26 -35.09 59.11 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.583 0.353 . . . . 0.0 110.905 -176.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -57.93 -31.65 67.02 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.535 1.134 . . . . 0.0 110.645 172.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 tt -69.2 61.74 0.13 Allowed 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.374 0.607 . . . . 0.0 110.683 170.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.2 t -77.33 156.72 31.11 Favored 'General case' 0 N--CA 1.452 -0.332 0 O-C-N 121.123 -0.986 . . . . 0.0 109.739 174.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.3 pt -66.04 -24.89 34.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.532 169.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -28.24 -57.54 0.13 Allowed Glycine 0 C--N 1.346 1.099 0 C-N-CA 126.683 2.087 . . . . 0.0 114.252 -172.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.9 p -137.06 58.84 1.7 Allowed 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.973 0.909 . . . . 0.0 108.555 171.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -4.52 -81.38 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 128.402 2.681 . . . . 0.0 114.729 -178.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.9 tp -59.77 -44.77 93.74 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.811 0.845 . . . . 0.0 111.466 -174.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.5 tp60 -63.85 -42.27 97.61 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -65.78 -43.23 89.39 Favored 'General case' 0 C--O 1.225 -0.2 0 C-N-CA 119.309 -0.957 . . . . 0.0 111.365 176.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.06 -42.06 65.43 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 174.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -62.84 -41.76 99.46 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 119.117 -0.468 . . . . 0.0 110.852 173.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.4 mp -62.51 -44.71 99.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-N 119.538 1.063 . . . . 0.0 109.703 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 42.2 t -58.49 -46.09 89.84 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 C-N-CA 123.712 0.805 . . . . 0.0 109.846 176.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -56.61 -45.48 81.46 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 122.118 -0.363 . . . . 0.0 110.488 175.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 31.0 tp -58.63 -50.62 73.16 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.247 0.476 . . . . 0.0 110.135 177.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.6 mmm -49.15 -56.42 9.26 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.282 0.633 . . . . 0.0 110.206 174.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -57.67 -43.49 85.06 Favored 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 123.418 0.687 . . . . 0.0 111.049 -178.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -60.96 -50.13 74.65 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.526 0.603 . . . . 0.0 111.102 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.98 -45.72 76.81 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.367 0.267 . . . . 0.0 111.071 -178.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -66.62 -56.89 8.61 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 123.563 0.745 . . . . 0.0 110.78 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . 0.324 24.0 ptt-85 54.23 -57.89 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 129.891 3.276 . . . . 0.0 115.858 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -61.16 -58.22 9.24 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 119.094 0.861 . . . . 0.0 110.343 177.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? 73.07 -44.81 0.6 Allowed 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 125.229 1.412 . . . . 0.0 113.639 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -68.13 74.8 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 124.35 1.06 . . . . 0.0 109.125 171.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -169.86 179.95 3.47 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 122.578 1.18 . . . . 0.0 111.269 -169.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -112.73 129.27 56.47 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 103.01 -2.959 . . . . 0.0 103.01 167.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 62.2 t -106.76 135.28 45.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 105.543 -2.021 . . . . 0.0 105.543 172.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -91.73 151.97 20.39 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 119.1 0.864 . . . . 0.0 109.166 -177.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -42.13 -44.05 3.52 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.919 1.288 . . . . 0.0 113.0 177.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -64.64 -32.82 74.66 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.576 1.08 . . . . 0.0 111.406 -179.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -69.09 -44.83 71.71 Favored 'General case' 0 C--N 1.339 0.118 0 O-C-N 120.862 -1.149 . . . . 0.0 110.004 173.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -50.72 -48.93 58.72 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 121.144 0.497 . . . . 0.0 110.037 174.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 12.0 mm -59.56 -53.8 43.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 124.341 1.056 . . . . 0.0 111.304 177.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 64.9 m -53.55 -44.7 69.46 Favored 'General case' 0 C--O 1.237 0.438 0 O-C-N 121.753 -0.592 . . . . 0.0 110.032 179.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -61.7 -43.45 98.83 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.813 1.245 . . . . 0.0 110.855 175.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.22 -46.16 68.98 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 174.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.71 -59.44 10.25 Favored Glycine 0 CA--C 1.529 0.918 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 174.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.17 -49.45 66.62 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 122.865 0.466 . . . . 0.0 111.648 -177.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 24.5 tp -52.72 -63.65 1.07 Allowed 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 125.774 1.63 . . . . 0.0 109.786 174.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.9 -32.7 67.98 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 123.539 0.735 . . . . 0.0 111.725 -174.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 12.0 tpt -59.05 -14.07 8.59 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.862 -0.524 . . . . 0.0 112.381 176.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 14.7 tt -49.48 -31.68 5.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-N 119.456 1.025 . . . . 0.0 111.306 169.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -75.41 57.19 0.9 Allowed 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.519 -0.738 . . . . 0.0 110.681 172.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.36 24.27 0.14 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.921 1.288 . . . . 0.0 113.407 -172.308 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.84 -39.73 1.94 Allowed 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 126.709 2.004 . . . . 0.0 109.289 177.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.03 -44.5 80.09 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 167.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.0 mp -101.71 79.25 1.91 Allowed 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 104.71 -2.33 . . . . 0.0 104.71 168.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -55.27 119.07 4.99 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 122.022 -0.424 . . . . 0.0 111.744 -168.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.245 0 CA-C-O 117.296 -1.835 . . . . 0.0 111.253 174.529 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.0 ptm . . . . . 0 N--CA 1.478 0.969 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.39 -36.38 66.02 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.329 0.652 . . . . 0.0 110.696 174.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -46.89 -49.78 47.47 Favored Pre-proline 0 CA--C 1.537 0.454 0 C-N-CA 124.859 1.263 . . . . 0.0 114.048 -169.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -57.94 -43.21 50.74 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 122.359 2.039 . . . . 0.0 111.951 176.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 10.0 tt -62.86 -50.06 72.4 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 178.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -55.71 -47.0 77.6 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 122.144 -0.347 . . . . 0.0 111.357 177.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.86 -40.52 76.28 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 122.947 0.499 . . . . 0.0 110.192 175.122 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.17 -48.71 77.24 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 119.254 -0.403 . . . . 0.0 110.066 178.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 50.3 mm -51.83 -55.83 8.01 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 174.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.73 -51.93 26.85 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 124.101 0.857 . . . . 0.0 111.487 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 53.9 tp -60.47 -49.37 77.84 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 122.323 -0.516 . . . . 0.0 110.426 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 30.9 mt -58.07 -52.02 67.27 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 123.096 0.558 . . . . 0.0 111.406 -178.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 27.1 pt -59.67 -40.85 83.38 Favored 'Isoleucine or valine' 0 C--N 1.34 0.18 0 C-N-CA 119.885 -0.726 . . . . 0.0 109.576 176.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -48.5 -56.9 8.86 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 123.618 0.628 . . . . 0.0 111.746 172.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.6 mp -56.38 -54.62 25.94 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 C-N-CA 123.655 0.782 . . . . 0.0 109.568 178.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -54.5 -41.85 70.08 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.015 0.436 . . . . 0.0 110.657 -177.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -69.81 -14.5 62.79 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.091 1.356 . . . . 0.0 112.744 -177.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -61.18 -59.77 4.81 Favored 'General case' 0 C--N 1.342 0.279 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 169.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -65.79 -63.48 1.08 Allowed 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.7 m -75.48 65.63 1.76 Allowed 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 123.32 0.648 . . . . 0.0 109.938 176.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 158.4 -65.75 0.29 Allowed Glycine 0 C--N 1.333 0.414 0 CA-C-N 118.275 0.489 . . . . 0.0 113.768 169.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm -71.42 -38.67 71.37 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 117.57 0.685 . . . . 0.0 110.545 -174.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -97.17 -49.26 5.04 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.367 1.067 . . . . 0.0 110.202 -175.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -129.2 -171.72 13.02 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -62.97 139.63 58.78 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.154 0.982 . . . . 0.0 111.092 -169.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 44.8 pttt -77.99 59.35 2.14 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 -173.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -131.29 -79.8 0.52 Allowed 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.404 1.081 . . . . 0.0 110.726 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 17.8 p -144.99 169.89 17.22 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 124.598 1.159 . . . . 0.0 108.873 -167.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 mp -88.34 73.87 8.75 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 105.168 -2.16 . . . . 0.0 105.168 -176.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.73 171.34 8.94 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 126.75 2.02 . . . . 0.0 107.763 -175.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 57.2 mttm -33.26 -55.68 0.41 Allowed 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 -170.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -56.32 -54.77 41.51 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.29 0.567 . . . . 0.0 111.157 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 23.0 mp0 -62.19 -42.31 99.17 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.826 0.85 . . . . 0.0 109.516 -177.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.11 -51.17 68.99 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 123.291 0.636 . . . . 0.0 109.949 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -57.59 -45.86 84.75 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 121.844 -0.535 . . . . 0.0 110.399 177.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -53.37 -53.8 45.84 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 120.609 0.243 . . . . 0.0 110.348 173.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.5 tt -54.23 -50.96 65.96 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.423 0.689 . . . . 0.0 110.613 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 85.3 mt -52.66 -51.55 34.31 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.13 0 C-N-CA 123.455 0.702 . . . . 0.0 109.574 176.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -58.63 -49.43 77.52 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.286 0.494 . . . . 0.0 111.025 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -60.35 -43.53 96.41 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.397 0.544 . . . . 0.0 111.37 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -59.85 -39.84 86.55 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.37 0.668 . . . . 0.0 110.418 174.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 2.7 tt -76.24 66.2 2.31 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.024 0.929 . . . . 0.0 108.833 175.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 13.7 t -84.21 -155.8 0.2 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.655 1.182 . . . . 0.0 109.912 177.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mp -66.45 89.01 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 176.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -56.81 74.68 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 C-N-CA 126.927 2.203 . . . . 0.0 113.444 -177.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 15.2 m -84.86 1.79 45.43 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.402 1.481 . . . . 0.0 112.223 -179.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 46.8 tptt 68.63 -57.85 0.49 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 127.146 2.178 . . . . 0.0 111.743 -176.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 58.1 tp -53.24 119.88 5.3 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.805 0.842 . . . . 0.0 108.734 169.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 74.83 -52.55 0.68 Allowed 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 126.001 1.721 . . . . 0.0 110.391 -170.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -55.75 -31.59 62.69 Favored 'General case' 0 C--O 1.222 -0.359 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -173.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.57 -47.71 66.65 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.285 0.948 . . . . 0.0 110.474 170.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -67.52 -37.18 82.39 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 118.712 -0.661 . . . . 0.0 110.801 175.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 46.9 mm -62.19 -48.21 89.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 CA-C-N 119.412 1.006 . . . . 0.0 109.997 178.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 56.0 t -54.66 -51.54 50.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 124.449 1.1 . . . . 0.0 109.404 173.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -51.81 -47.44 64.3 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 117.752 0.251 . . . . 0.0 110.665 176.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 7.8 tt -56.47 -60.24 3.81 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 124.187 0.995 . . . . 0.0 109.841 -179.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -62.48 -36.85 83.79 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -177.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -67.76 -48.09 67.37 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 118.082 0.401 . . . . 0.0 110.265 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -56.22 -37.35 69.57 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.728 0.811 . . . . 0.0 110.738 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 23.0 tp -68.71 -70.45 0.27 Allowed 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.308 0.575 . . . . 0.0 109.743 169.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -84.11 62.98 7.41 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.246 0.619 . . . . 0.0 110.29 -170.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 37.9 mtp85 -54.63 -40.02 68.52 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.532 0.733 . . . . 0.0 111.137 -174.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -79.64 -4.63 52.54 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.714 0.806 . . . . 0.0 112.673 -177.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt 69.96 3.89 4.54 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.519 1.528 . . . . 0.0 113.687 -177.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -165.52 137.59 4.12 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 104.981 -2.229 . . . . 0.0 104.981 168.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -162.59 165.5 25.83 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 119.04 0.836 . . . . 0.0 108.788 -170.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -119.08 95.24 4.73 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 106.283 -1.747 . . . . 0.0 106.283 168.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 94.3 t -92.79 114.73 30.15 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 -169.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -89.97 158.79 17.22 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 173.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -50.1 -41.42 48.34 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.308 1.043 . . . . 0.0 112.45 -170.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -64.11 -36.52 84.31 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.603 -0.685 . . . . 0.0 111.939 176.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -67.51 -45.99 74.2 Favored 'General case' 0 C--N 1.339 0.128 0 CA-C-N 119.857 1.208 . . . . 0.0 109.641 175.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -50.2 -49.91 51.09 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 120.908 0.385 . . . . 0.0 110.185 174.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.37 -46.78 89.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 O-C-N 121.94 -0.475 . . . . 0.0 110.617 -178.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 72.2 m -56.19 -43.89 78.9 Favored 'General case' 0 C--O 1.236 0.359 0 O-C-N 121.216 -0.927 . . . . 0.0 109.889 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -56.47 -44.44 80.57 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.412 1.085 . . . . 0.0 110.938 170.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.61 -48.45 69.27 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 175.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.24 -54.85 27.31 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.659 -0.576 . . . . 0.0 111.659 175.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.84 -52.26 63.32 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 117.547 0.674 . . . . 0.0 111.177 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 38.8 tp -53.86 -55.21 28.8 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.752 1.621 . . . . 0.0 110.326 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.43 -42.44 87.32 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.636 178.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 48.1 ttm -62.9 -46.2 88.94 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.927 -0.483 . . . . 0.0 111.419 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 20.9 tt -65.36 -34.67 72.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 118.667 0.667 . . . . 0.0 110.551 175.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 19.7 m-30 -74.65 59.58 0.86 Allowed 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 122.557 1.17 . . . . 0.0 109.357 168.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -65.21 -47.58 76.38 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.362 -169.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 45.6 mp0 -76.22 53.9 0.85 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.576 1.55 . . . . 0.0 110.034 176.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -170.28 -49.53 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 127.301 2.24 . . . . 0.0 106.51 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 31.7 tp -56.58 -48.34 77.58 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 168.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -74.52 62.67 1.03 Allowed 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 167.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.184 0 CA-C-O 117.022 -1.988 . . . . 0.0 109.95 -176.657 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.1 mtt . . . . . 0 N--CA 1.475 0.79 0 CA-C-O 120.856 0.36 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.46 -27.12 68.28 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 122.725 0.41 . . . . 0.0 111.278 171.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -32.85 -65.13 0.23 Allowed Pre-proline 0 CA--C 1.537 0.468 0 C-N-CA 126.352 1.861 . . . . 0.0 114.164 -174.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -55.22 -41.16 81.18 Favored 'Trans proline' 0 CA--C 1.537 0.654 0 C-N-CA 121.834 1.689 . . . . 0.0 113.517 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.79 -53.32 48.86 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -64.44 -32.26 73.81 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 120.514 -0.474 . . . . 0.0 111.751 -178.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -63.63 -42.72 98.14 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.224 0.61 . . . . 0.0 110.317 171.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.9 -47.47 83.14 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 118.685 0.675 . . . . 0.0 110.504 178.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 93.5 mt -55.38 -47.36 78.21 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 172.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.66 -49.43 16.34 Favored Glycine 0 CA--C 1.528 0.869 0 C-N-CA 125.516 1.531 . . . . 0.0 111.563 172.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.3 tp -63.34 -46.45 86.52 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 121.961 -0.729 . . . . 0.0 110.375 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 70.2 mt -56.23 -56.09 25.24 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 118.128 0.422 . . . . 0.0 111.275 175.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.3 pp -64.11 -30.94 51.41 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.261 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.339 -178.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.13 -56.13 22.28 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 124.416 1.007 . . . . 0.0 111.62 176.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -60.7 -42.45 92.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-N 117.978 0.889 . . . . 0.0 108.839 179.165 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -54.57 -45.81 73.59 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.619 -0.676 . . . . 0.0 110.128 172.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -53.46 -36.78 61.99 Favored 'General case' 0 N--CA 1.456 -0.145 0 O-C-N 121.179 -0.95 . . . . 0.0 112.105 -175.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -52.54 -41.25 63.34 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 122.448 0.299 . . . . 0.0 110.606 178.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -79.05 -51.44 9.57 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 176.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -48.29 -38.77 19.68 Favored 'General case' 0 C--O 1.226 -0.175 0 C-N-CA 124.32 1.048 . . . . 0.0 112.601 -175.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -45.44 -37.55 6.49 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.605 1.098 . . . . 0.0 112.886 177.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -60.6 -20.92 61.94 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 118.205 1.003 . . . . 0.0 112.279 179.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -128.24 37.75 4.1 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.483 1.913 . . . . 0.0 109.393 170.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 49.64 -105.81 0.18 Allowed Glycine 0 CA--C 1.53 0.999 0 C-N-CA 125.378 1.466 . . . . 0.0 113.123 178.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -90.17 -9.23 48.95 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.371 0.668 . . . . 0.0 112.075 -174.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.4 mtmt -73.66 81.84 1.54 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 119.14 0.882 . . . . 0.0 109.374 177.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.4 m80 -73.59 72.48 1.43 Allowed 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 169.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.9 p -125.3 160.54 29.04 Favored 'General case' 0 N--CA 1.437 -1.08 0 C-N-CA 127.247 2.219 . . . . 0.0 105.584 175.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.4 mp -93.83 80.36 4.19 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 105.717 -1.956 . . . . 0.0 105.717 171.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.0 m -91.39 162.0 14.77 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 175.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -46.57 -42.49 16.04 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.883 0.873 . . . . 0.0 112.623 -169.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -57.3 -45.62 84.0 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.897 0.879 . . . . 0.0 111.607 175.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -68.6 -41.16 79.99 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 118.609 -0.71 . . . . 0.0 110.495 177.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.2 mp -53.35 -55.44 24.87 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 118.983 0.81 . . . . 0.0 109.245 173.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.7 tmmm? -51.17 -54.82 21.79 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.611 0.764 . . . . 0.0 109.565 179.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -61.93 -42.36 99.01 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 122.314 -0.241 . . . . 0.0 111.603 -176.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.3 tp -59.62 -54.1 50.4 Favored 'General case' 0 N--CA 1.456 -0.154 0 O-C-N 121.789 -0.569 . . . . 0.0 109.838 177.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 81.8 mt -56.0 -50.04 71.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -52.62 -54.05 38.56 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.376 1.07 . . . . 0.0 111.067 177.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -69.45 -44.77 70.59 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 122.839 0.456 . . . . 0.0 111.425 -173.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -60.54 -38.29 84.01 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 121.024 0.44 . . . . 0.0 109.85 174.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.8 tp 64.64 -79.02 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 126.623 1.969 . . . . 0.0 111.72 175.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.2 t 178.96 176.91 0.52 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.933 1.693 . . . . 0.0 107.997 -176.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 19.6 mm -140.68 -58.29 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 C-N-CA 125.939 1.696 . . . . 0.0 106.562 168.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.34 166.45 31.65 Favored Glycine 0 C--N 1.335 0.5 0 N-CA-C 107.787 -2.125 . . . . 0.0 107.787 169.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.3 p -78.83 49.91 0.95 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.571 1.186 . . . . 0.0 110.893 -176.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.4 tptt 179.25 -69.53 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 127.751 2.421 . . . . 0.0 105.879 -179.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.6 tp -58.1 118.96 6.0 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.813 0.845 . . . . 0.0 109.568 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 68.34 -50.87 0.55 Allowed 'General case' 0 C--O 1.226 -0.161 0 C-N-CA 126.135 1.774 . . . . 0.0 112.152 -172.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -59.76 -31.29 69.51 Favored 'General case' 0 N--CA 1.453 -0.319 0 O-C-N 121.037 -1.04 . . . . 0.0 112.351 -174.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.89 -43.1 72.92 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 119.235 0.925 . . . . 0.0 110.617 170.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -67.42 -38.16 84.16 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 118.717 -0.659 . . . . 0.0 110.15 175.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 69.5 mt -60.61 -47.83 91.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-N 119.263 0.938 . . . . 0.0 109.597 176.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.8 t -57.05 -51.77 64.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 123.649 0.78 . . . . 0.0 109.675 176.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -55.6 -46.5 77.3 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.113 0.415 . . . . 0.0 110.954 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 56.8 tp -56.72 -56.86 16.12 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 123.956 0.903 . . . . 0.0 109.749 177.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 16.1 tpt -54.53 -50.36 68.07 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 122.305 0.242 . . . . 0.0 110.384 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -52.89 -54.89 28.08 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.722 0.809 . . . . 0.0 110.047 178.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -53.5 -61.31 2.38 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.345 0.658 . . . . 0.0 110.474 178.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 85.1 mt -49.65 -46.22 49.39 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.166 0.586 . . . . 0.0 110.499 -178.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -56.39 -23.39 37.62 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 -175.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -58.77 -29.09 66.52 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 120.197 1.362 . . . . 0.0 111.536 175.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -66.0 -29.3 69.66 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.027 0.531 . . . . 0.0 111.89 173.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.9 ttpp 94.29 118.37 0.02 OUTLIER 'General case' 0 C--O 1.234 0.286 0 C-N-CA 129.197 2.999 . . . . 0.0 104.741 -166.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -76.2 55.9 0.99 Allowed 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.819 1.248 . . . . 0.0 112.807 -169.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -111.66 -76.13 0.6 Allowed 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.472 1.109 . . . . 0.0 108.545 172.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -115.89 94.2 4.57 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 125.803 1.641 . . . . 0.0 107.755 175.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.9 t -94.41 138.72 19.98 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.107 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 177.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -91.57 155.43 18.38 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.643 -0.661 . . . . 0.0 111.458 -168.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -42.04 -45.81 4.01 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 126.006 1.722 . . . . 0.0 111.061 173.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -52.25 -38.79 59.14 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 119.331 -0.366 . . . . 0.0 110.903 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -68.25 -43.94 76.76 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 119.181 0.901 . . . . 0.0 110.301 -178.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -51.99 -55.93 17.41 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 173.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.1 tp -70.16 -36.21 66.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 119.818 -0.753 . . . . 0.0 111.493 -174.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 86.6 m -62.31 -39.46 93.1 Favored 'General case' 0 C--O 1.226 -0.169 0 O-C-N 121.128 -0.983 . . . . 0.0 109.001 176.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -61.51 -39.67 91.85 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 118.16 0.436 . . . . 0.0 110.598 171.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 tt -55.33 -49.84 71.17 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 174.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -49.74 -55.62 13.76 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 123.989 0.804 . . . . 0.0 112.132 172.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.81 -42.23 83.81 Favored 'General case' 0 N--CA 1.457 -0.1 0 C-N-CA 124.546 1.138 . . . . 0.0 111.68 -177.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 53.4 tp -67.87 -53.41 26.94 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 177.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.17 -47.75 71.67 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.233 1.013 . . . . 0.0 112.028 -177.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -8.61 4.39 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 -169.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.2 pp -57.81 -38.73 67.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-N 119.154 0.888 . . . . 0.0 109.672 168.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 61.19 -58.52 0.1 Allowed 'General case' 0 C--N 1.343 0.312 0 C-N-CA 127.956 2.502 . . . . 0.0 115.65 174.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -9.97 103.39 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 128.779 2.831 . . . . 0.0 113.781 178.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 72.41 -43.24 0.56 Allowed 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 126.002 1.721 . . . . 0.0 113.297 173.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.77 -52.71 59.36 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.998 0.817 . . . . 0.0 109.549 173.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.5 tp -78.45 48.76 0.8 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.835 0.854 . . . . 0.0 110.34 173.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -155.35 -49.89 0.08 Allowed 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.752 1.221 . . . . 0.0 108.698 175.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.087 0 CA-C-O 117.281 -1.844 . . . . 0.0 109.758 174.957 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.0 mmt . . . . . 0 N--CA 1.473 0.706 0 N-CA-C 110.48 -0.193 . . . . 0.0 110.48 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.46 67.55 1.06 Allowed 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 123.266 0.626 . . . . 0.0 109.614 175.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 30.7 t -69.77 139.32 88.44 Favored Pre-proline 0 N--CA 1.449 -0.519 0 C-N-CA 123.243 0.617 . . . . 0.0 110.411 -177.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -50.18 -27.39 17.27 Favored 'Trans proline' 0 N--CA 1.451 -1.023 0 C-N-CA 122.471 2.114 . . . . 0.0 111.57 167.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 39.6 tp -59.2 -54.37 47.67 Favored 'General case' 0 C--N 1.342 0.258 0 CA-C-N 118.536 0.607 . . . . 0.0 110.428 173.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -67.02 -35.78 80.67 Favored 'General case' 0 C--O 1.23 0.074 0 O-C-N 121.569 -0.707 . . . . 0.0 110.689 -178.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -55.54 -48.05 75.35 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 171.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.93 -47.48 86.24 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.343 0.657 . . . . 0.0 110.244 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 96.4 mt -56.83 -49.31 79.15 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.78 -53.43 36.34 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 176.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 57.4 tp -52.52 -52.33 55.16 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.335 0.654 . . . . 0.0 110.22 177.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 35.3 mt -58.01 -49.27 77.42 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 124.008 0.923 . . . . 0.0 111.077 -178.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 10.7 mm -52.16 -57.2 4.15 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 175.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.88 -59.48 10.52 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.671 -0.571 . . . . 0.0 111.671 -177.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 14.6 tt -64.23 -35.55 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 O-C-N 121.758 -0.848 . . . . 0.0 110.817 -175.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -64.62 -45.97 84.58 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 118.955 0.798 . . . . 0.0 110.169 177.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -54.8 -46.82 74.53 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 118.429 0.559 . . . . 0.0 110.17 173.148 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -63.41 -50.87 68.13 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 121.466 0.65 . . . . 0.0 109.801 -174.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -54.36 -48.34 71.58 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 125.821 1.648 . . . . 0.0 109.77 176.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 10.9 m -73.14 8.94 1.38 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.056 0.943 . . . . 0.0 113.462 174.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.22 -33.54 52.31 Favored Glycine 0 CA--C 1.529 0.947 0 CA-C-N 120.105 1.32 . . . . 0.0 113.036 -173.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -37.42 63.64 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.997 0.919 . . . . 0.0 110.896 173.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -101.79 25.58 8.43 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.527 1.531 . . . . 0.0 110.51 174.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 55.09 -111.59 2.35 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 124.333 0.968 . . . . 0.0 111.709 -175.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -114.13 14.71 18.3 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.009 1.323 . . . . 0.0 110.937 177.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -66.14 125.59 26.01 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 173.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -76.33 53.31 0.82 Allowed 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.937 0.718 . . . . 0.0 112.937 -169.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 9.8 t -146.51 142.76 28.39 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 123.877 0.871 . . . . 0.0 109.021 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 44.0 mt -94.92 128.41 41.68 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 171.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 23.2 t -91.57 170.25 10.09 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 178.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -50.12 -41.44 48.65 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.229 0.611 . . . . 0.0 109.371 174.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -44.08 -51.69 7.74 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.727 1.611 . . . . 0.0 111.163 172.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -65.1 -49.16 71.08 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.232 0.613 . . . . 0.0 109.512 -175.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.88 -49.74 76.65 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 117.929 0.332 . . . . 0.0 110.11 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -54.76 -51.39 65.84 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.218 0.207 . . . . 0.0 110.571 176.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -57.08 -45.1 83.58 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 122.233 -0.292 . . . . 0.0 111.631 177.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 44.8 tp -58.92 -50.42 74.09 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 118.766 0.712 . . . . 0.0 109.82 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 81.0 mt -57.06 -48.41 81.94 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 178.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -55.02 -54.43 43.12 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.904 0.881 . . . . 0.0 110.956 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -62.45 -46.41 88.63 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.348 0.659 . . . . 0.0 110.814 -178.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -53.96 -39.96 66.41 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.618 0.767 . . . . 0.0 110.201 174.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 17.6 tp 56.54 49.4 14.82 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.728 1.211 . . . . 0.0 109.179 178.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 8.9 t -59.62 131.5 51.12 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.605 -172.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.3 pp -74.12 67.59 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 123.572 0.749 . . . . 0.0 109.098 170.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.4 68.12 0.16 Allowed Glycine 0 CA--C 1.531 1.032 0 C-N-CA 126.012 1.768 . . . . 0.0 112.56 -175.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.1 p -82.31 58.23 3.98 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 127.434 2.294 . . . . 0.0 109.462 -173.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm 66.3 -70.83 0.1 Allowed 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 126.68 1.992 . . . . 0.0 111.646 172.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 81.2 mt -61.17 -50.7 72.08 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 175.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -58.79 -36.12 73.92 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.959 177.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -72.83 -35.9 67.37 Favored 'General case' 0 C--O 1.224 -0.268 0 O-C-N 121.126 -0.984 . . . . 0.0 112.332 177.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.16 -46.46 68.88 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 169.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -59.23 -43.05 92.34 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 118.203 -0.904 . . . . 0.0 111.477 171.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 13.0 mm -61.67 -52.17 64.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 120.333 1.424 . . . . 0.0 110.867 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 21.7 m -63.55 -36.47 76.47 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 CA-C-N 118.539 0.609 . . . . 0.0 110.733 -178.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 40.7 ttpt -59.56 -50.97 71.82 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.554 0.615 . . . . 0.0 110.351 173.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 23.4 tp -58.7 -48.96 79.35 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -53.28 -53.92 43.83 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.913 0.885 . . . . 0.0 109.734 175.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -53.87 -50.86 65.35 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.368 0.667 . . . . 0.0 110.974 178.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -57.09 -41.44 78.86 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.255 0.622 . . . . 0.0 111.531 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 tt -66.99 -63.71 1.0 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 121.401 0.62 . . . . 0.0 109.761 176.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -74.36 67.18 1.4 Allowed 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 125.823 1.649 . . . . 0.0 110.459 -178.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.07 -50.0 70.26 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 173.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -74.87 61.92 1.06 Allowed 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.621 -0.674 . . . . 0.0 110.663 169.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 39.9 pttt -72.45 68.84 0.81 Allowed 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.152 0.981 . . . . 0.0 109.505 174.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -148.35 -56.05 0.21 Allowed 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.967 1.307 . . . . 0.0 109.352 -176.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -123.34 -91.32 0.55 Allowed 'General case' 0 N--CA 1.457 -0.098 0 C-N-CA 123.573 0.749 . . . . 0.0 110.558 -178.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -132.9 145.08 50.61 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 126.392 1.877 . . . . 0.0 106.158 -175.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 8.2 p -95.51 135.01 30.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 -177.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -92.2 152.16 20.0 Favored 'General case' 0 C--N 1.333 -0.119 0 O-C-N 121.795 -0.565 . . . . 0.0 110.191 -170.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -47.42 -42.77 22.88 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.319 0.648 . . . . 0.0 111.899 174.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 16.7 tp60 -59.05 -37.76 77.77 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.18 -0.95 . . . . 0.0 110.996 177.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -68.04 -40.53 82.84 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 118.86 -0.59 . . . . 0.0 109.688 174.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -56.71 -48.41 77.76 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.691 0.678 . . . . 0.0 109.858 176.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 22.0 mm -56.19 -53.46 39.12 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 123.112 0.565 . . . . 0.0 110.49 175.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 23.8 m -56.36 -46.89 79.81 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.999 -0.438 . . . . 0.0 110.564 -178.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -53.14 -48.99 67.47 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.563 1.145 . . . . 0.0 110.517 173.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 3.1 tt -57.42 -47.7 81.05 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 -178.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -51.02 -60.86 6.66 Favored Glycine 0 C--O 1.223 -0.558 0 CA-C-O 119.328 -0.706 . . . . 0.0 111.983 173.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.21 -51.75 66.94 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.119 0.96 . . . . 0.0 111.425 -177.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -52.52 -50.93 61.85 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 125.256 1.422 . . . . 0.0 109.77 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.08 -49.68 66.75 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 121.952 -0.468 . . . . 0.0 111.612 178.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 28.0 ttt -49.22 -39.13 28.77 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.991 1.717 . . . . 0.0 113.678 -172.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 17.9 pt -63.82 -18.73 22.96 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 119.06 0.845 . . . . 0.0 112.61 178.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 58.02 -137.29 0.91 Allowed 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 125.646 1.578 . . . . 0.0 110.655 178.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . 0.276 4.5 p30 41.25 -124.62 0.53 Allowed 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.898 1.279 . . . . 0.0 111.469 -177.008 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -48.83 -34.33 12.27 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 119.676 1.126 . . . . 0.0 113.044 -178.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.36 -32.63 68.74 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 118.49 0.586 . . . . 0.0 111.55 -175.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 25.8 mt -82.7 -12.48 57.56 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 119.618 -0.229 . . . . 0.0 111.609 -179.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -94.37 -44.17 8.05 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.928 0.891 . . . . 0.0 109.514 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.279 0 CA-C-O 117.353 -1.804 . . . . 0.0 111.175 -177.336 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.474 0.759 0 CA-C-O 120.65 0.262 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -160.79 178.49 9.39 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 125.075 1.35 . . . . 0.0 107.683 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.47 124.49 11.79 Favored Pre-proline 0 CA--C 1.536 0.415 0 C-N-CA 125.024 1.33 . . . . 0.0 109.187 173.495 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -33.39 -62.56 0.17 Allowed 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 124.883 3.722 . . . . 0.0 116.498 -169.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -57.84 -40.74 80.79 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.389 -0.819 . . . . 0.0 112.436 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -68.04 -42.9 79.84 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 121.93 -0.481 . . . . 0.0 109.928 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -56.85 -43.44 81.13 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 122.824 0.449 . . . . 0.0 109.964 173.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.31 -52.58 64.11 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 122.761 0.425 . . . . 0.0 110.224 -178.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.7 mt -50.03 -55.18 5.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 N-CA-C 108.706 -0.849 . . . . 0.0 108.706 172.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.97 -51.97 10.39 Favored Glycine 0 CA--C 1.524 0.639 0 C-N-CA 125.921 1.724 . . . . 0.0 112.212 178.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 30.3 mt -63.9 -49.59 72.08 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 117.838 0.819 . . . . 0.0 110.338 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mp -55.5 -52.98 61.86 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 119.449 -0.31 . . . . 0.0 111.336 -178.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.8 pt -67.32 -40.3 84.54 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 177.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -43.18 -56.89 4.45 Favored Glycine 0 C--N 1.335 0.502 0 C-N-CA 125.733 1.635 . . . . 0.0 110.884 176.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.1 tt -74.85 -53.17 17.16 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 117.921 0.86 . . . . 0.0 111.52 175.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -54.51 -45.48 73.33 Favored 'General case' 0 C--N 1.34 0.176 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -168.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -61.77 -31.86 72.09 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -173.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -57.25 -41.98 80.63 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-O 121.547 0.689 . . . . 0.0 109.457 -178.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -81.13 -65.6 0.99 Allowed 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.222 175.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 84.1 p -63.33 -23.11 67.27 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 -168.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -51.7 -32.33 32.31 Favored Glycine 0 CA--C 1.529 0.924 0 C-N-CA 123.879 0.752 . . . . 0.0 111.767 173.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -54.37 -30.9 53.41 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 117.513 0.656 . . . . 0.0 111.322 174.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -123.57 48.32 1.88 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.539 1.536 . . . . 0.0 108.515 170.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.81 66.38 0.83 Allowed Glycine 0 CA--C 1.527 0.831 0 C-N-CA 126.164 1.84 . . . . 0.0 111.807 -175.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -167.7 -59.62 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 127.908 2.483 . . . . 0.0 105.298 -177.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -63.62 -40.62 97.34 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.791 169.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 77.7 m80 58.94 61.43 2.15 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 122.372 1.082 . . . . 0.0 109.962 -177.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.6 p -131.03 170.25 14.75 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 106.123 -1.806 . . . . 0.0 106.123 176.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.5 tt -125.64 116.48 21.77 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.4 m -97.49 164.95 12.23 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.148 0.979 . . . . 0.0 112.285 -169.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -44.97 -47.77 11.42 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 125.34 1.456 . . . . 0.0 113.319 -170.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -55.3 -59.73 4.39 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.114 0.566 . . . . 0.0 109.831 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -50.46 -47.48 56.95 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.039 0.535 . . . . 0.0 110.321 176.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 48.8 tp -57.68 -55.67 31.88 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 119.319 -0.372 . . . . 0.0 110.875 -178.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.26 -40.38 90.16 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 119.123 0.874 . . . . 0.0 111.034 -178.577 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.6 -51.25 70.26 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.595 -0.691 . . . . 0.0 110.434 175.47 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 61.6 tp -54.28 -54.86 34.42 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.143 0.577 . . . . 0.0 110.138 176.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 59.6 mt -51.32 -53.07 16.87 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 C-N-CA 123.51 0.724 . . . . 0.0 109.997 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -52.74 -55.02 25.76 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 119.444 -0.312 . . . . 0.0 110.752 178.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -30.2 67.56 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -175.287 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -62.52 -46.96 86.01 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 119.027 0.831 . . . . 0.0 110.566 169.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 60.2 tp -71.05 -45.97 62.86 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 122.863 0.465 . . . . 0.0 111.006 -172.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 32.0 p 53.87 -109.57 0.49 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.439 1.496 . . . . 0.0 108.965 -168.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.5 pt -135.47 28.45 0.84 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 C-N-CA 125.171 1.388 . . . . 0.0 109.005 169.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.02 133.98 11.52 Favored Glycine 0 C--N 1.337 0.613 0 N-CA-C 110.299 -1.12 . . . . 0.0 110.299 -173.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.5 m -76.15 49.62 0.57 Allowed 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.197 1.399 . . . . 0.0 110.816 177.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -72.59 73.02 1.04 Allowed 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.769 1.227 . . . . 0.0 109.945 -175.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.8 tp -37.78 -54.14 1.25 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.097 1.359 . . . . 0.0 113.217 -175.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -53.28 -51.82 61.05 Favored 'General case' 0 CA--C 1.527 0.087 0 O-C-N 121.676 -0.64 . . . . 0.0 110.862 177.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -66.85 -31.16 71.59 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 118.504 -0.76 . . . . 0.0 111.398 179.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.81 -46.81 74.57 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 119.289 0.95 . . . . 0.0 108.823 171.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -60.18 -44.8 94.78 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 118.827 -0.606 . . . . 0.0 110.988 172.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 78.3 mt -56.31 -55.44 18.88 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 119.283 0.947 . . . . 0.0 110.536 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.2 m -63.78 -38.77 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-O 118.977 -0.535 . . . . 0.0 110.934 -177.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -56.49 -48.49 77.05 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 118.774 0.716 . . . . 0.0 109.87 173.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.4 tt -58.21 -54.25 49.1 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 67.2 mtm -56.24 -47.03 79.29 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 122.08 -0.387 . . . . 0.0 111.25 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -56.37 -53.15 60.71 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.505 0.722 . . . . 0.0 110.415 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -56.53 -50.18 72.61 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 121.047 0.451 . . . . 0.0 110.752 177.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 45.3 tp -55.93 -42.09 75.61 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.001 0.921 . . . . 0.0 110.731 -178.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -65.72 -55.51 16.97 Favored 'General case' 0 N--CA 1.456 -0.168 0 O-C-N 122.114 -0.366 . . . . 0.0 110.039 173.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.4 -38.15 18.81 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 125.096 1.359 . . . . 0.0 111.405 -177.291 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -47.76 -37.72 13.98 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.517 0.727 . . . . 0.0 111.812 176.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.34 44.28 2.98 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.236 1.414 . . . . 0.0 109.112 173.083 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -23.44 82.35 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 128.222 2.609 . . . . 0.0 115.592 -168.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.0 -60.14 0.01 OUTLIER 'General case' 0 C--N 1.339 0.11 0 C-N-CA 123.443 0.697 . . . . 0.0 111.123 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -145.93 170.23 17.02 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.922 1.289 . . . . 0.0 110.094 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 30.5 m -119.93 139.89 45.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 106.442 -1.688 . . . . 0.0 106.442 165.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -92.48 151.06 20.4 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -177.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -46.6 -44.13 17.89 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 177.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -59.12 -38.78 80.41 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 120.856 -1.153 . . . . 0.0 110.614 177.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -64.5 -47.47 78.79 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 176.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -49.7 -49.94 45.73 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.709 0.804 . . . . 0.0 110.349 173.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 16.4 mm -57.01 -53.82 38.07 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 O-C-N 121.589 -0.694 . . . . 0.0 111.146 176.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.1 p -63.29 -25.36 68.28 Favored 'General case' 0 C--O 1.223 -0.31 0 O-C-N 120.894 -1.129 . . . . 0.0 111.782 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.54 -45.61 82.72 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.116 0.966 . . . . 0.0 109.856 172.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.4 tp -54.09 -48.51 70.6 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 170.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -46.31 -60.0 4.9 Favored Glycine 0 CA--C 1.532 1.106 0 N-CA-C 111.757 -0.537 . . . . 0.0 111.757 172.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.08 -45.31 79.39 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 125.122 1.369 . . . . 0.0 111.418 -175.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 96.3 mt -58.6 -53.24 60.58 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 174.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.52 -38.79 72.3 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -178.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 22.8 mmt -54.41 -18.04 3.74 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.063 0.945 . . . . 0.0 113.209 177.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 96.2 mt -55.85 -33.92 35.9 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-N 119.432 1.015 . . . . 0.0 110.316 171.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 48.56 77.53 0.1 Allowed 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 125.185 1.394 . . . . 0.0 113.319 171.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -33.17 107.61 0.05 OUTLIER 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 126.101 1.76 . . . . 0.0 112.219 169.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 56.07 43.23 27.34 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.599 0.76 . . . . 0.0 112.392 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 55.42 41.68 30.76 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.538 0.735 . . . . 0.0 109.982 -171.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 18.4 tp 59.42 42.72 17.44 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.694 1.598 . . . . 0.0 110.839 -175.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -101.88 -112.44 0.21 Allowed 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 171.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.255 0 CA-C-O 117.332 -1.816 . . . . 0.0 111.2 -178.58 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.474 0.758 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.89 37.85 0.15 Allowed 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.698 -0.626 . . . . 0.0 110.75 170.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.68 -46.94 99.54 Favored Pre-proline 0 N--CA 1.449 -0.506 0 C-N-CA 124.466 1.107 . . . . 0.0 113.321 -168.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -58.01 -51.73 7.25 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 121.88 1.72 . . . . 0.0 111.25 178.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 94.5 mt -57.62 -49.36 76.68 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 178.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -58.09 -51.01 71.47 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -55.34 -43.85 75.38 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.7 -53.15 44.86 Favored 'General case' 0 N--CA 1.456 -0.154 0 O-C-N 122.289 -0.257 . . . . 0.0 110.481 -175.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 66.3 mt -55.86 -52.65 46.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 123.936 0.895 . . . . 0.0 108.806 178.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.53 -51.72 46.21 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 6.4 tt -56.17 -55.69 30.03 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.958 0.903 . . . . 0.0 110.228 178.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 60.9 mt -57.25 -51.67 68.4 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 123.453 0.701 . . . . 0.0 110.586 -177.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 10.0 mm -51.57 -48.95 35.31 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.187 0 C-N-CA 123.572 0.749 . . . . 0.0 109.537 173.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -52.51 -66.64 2.53 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 123.835 0.731 . . . . 0.0 111.542 177.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 34.1 pt -60.44 -39.22 80.43 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.103 0 O-C-N 121.498 -1.001 . . . . 0.0 110.959 -175.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -67.67 -36.23 80.33 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 121.908 -0.495 . . . . 0.0 111.346 -179.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -60.16 -46.68 88.86 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 169.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -58.44 -44.09 89.02 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 118.667 0.667 . . . . 0.0 110.246 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -62.97 -78.12 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.784 174.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 88.8 p -67.45 -24.16 65.6 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 -168.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -46.94 -43.86 17.58 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 124.373 0.987 . . . . 0.0 112.987 -173.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -55.69 -29.62 59.69 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -113.33 18.19 17.98 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.511 1.524 . . . . 0.0 111.206 177.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 20.64 -91.38 0.01 OUTLIER Glycine 0 CA--C 1.529 0.91 0 C-N-CA 128.938 3.161 . . . . 0.0 115.277 -178.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -44.75 -42.22 7.54 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 125.92 1.688 . . . . 0.0 112.167 -178.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -71.0 80.37 0.66 Allowed 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 175.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -69.43 64.64 0.17 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.134 1.374 . . . . 0.0 109.71 174.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 8.4 p -142.51 152.43 42.66 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 126.042 1.737 . . . . 0.0 106.853 -173.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 3.7 tt -93.81 104.82 16.88 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 105.303 -2.11 . . . . 0.0 105.303 172.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 89.1 p -94.27 158.54 15.54 Favored 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 123.417 0.687 . . . . 0.0 111.161 -172.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 15.9 pttm -29.03 -53.72 0.12 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.938 2.095 . . . . 0.0 114.861 175.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.07 -49.92 74.37 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.769 0.795 . . . . 0.0 110.37 178.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -70.5 -33.35 71.12 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.229 1.412 . . . . 0.0 109.967 -176.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 tt -61.48 -54.1 47.73 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 125.314 1.446 . . . . 0.0 108.394 174.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -53.29 -51.24 62.94 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 177.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -52.23 -52.81 50.22 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 122.74 0.416 . . . . 0.0 111.18 175.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.8 tt -52.26 -57.9 8.29 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 119.153 -0.451 . . . . 0.0 109.976 179.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 38.0 pt -61.78 -44.87 99.43 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 119.761 -0.775 . . . . 0.0 111.175 -174.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -67.97 -36.59 80.3 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 118.864 0.757 . . . . 0.0 111.942 -177.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -71.56 -55.58 7.54 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.747 0.703 . . . . 0.0 110.798 176.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -70.42 -15.81 62.88 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 119.001 -0.523 . . . . 0.0 112.242 -176.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 50.8 mt 74.39 -55.58 0.66 Allowed 'General case' 0 C--N 1.34 0.165 0 C-N-CA 126.723 2.009 . . . . 0.0 110.2 -177.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 31.0 p 66.28 -70.0 0.11 Allowed 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 127.172 2.189 . . . . 0.0 111.902 178.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 tp -74.87 57.75 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.481 0 C-N-CA 125.075 1.35 . . . . 0.0 111.207 -175.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -79.23 49.52 3.57 Favored Glycine 0 CA--C 1.528 0.884 0 O-C-N 120.631 -1.293 . . . . 0.0 111.596 178.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 18.1 m 68.82 -35.6 0.3 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.677 1.991 . . . . 0.0 115.428 173.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -72.72 77.6 1.11 Allowed 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 119.118 0.872 . . . . 0.0 110.53 -174.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 52.3 mt 6.47 -57.7 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.447 1 C-N-CA 131.797 4.039 . . . . 0.0 117.111 173.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.83 -45.39 1.78 Allowed 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.158 0.983 . . . . 0.0 111.212 170.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 17.0 p30 -61.63 -41.71 97.86 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 176.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.24 -43.49 70.95 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 170.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -62.89 -37.99 89.12 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 118.628 -0.701 . . . . 0.0 111.745 173.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 83.3 mt -60.88 -50.43 80.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 CA-C-N 120.252 1.387 . . . . 0.0 109.866 175.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 77.7 t -58.01 -44.43 86.97 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 C-N-CA 123.167 0.587 . . . . 0.0 109.908 178.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -56.94 -49.58 75.22 Favored 'General case' 0 C--O 1.223 -0.291 0 C-N-CA 122.928 0.491 . . . . 0.0 109.988 175.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 11.8 tp -58.42 -45.45 88.43 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 122.808 0.443 . . . . 0.0 110.161 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 12.8 tmm? -55.8 -52.49 63.82 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 174.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -56.72 -43.26 80.42 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 122.741 0.416 . . . . 0.0 111.303 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -59.8 -48.47 81.55 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 124.364 1.066 . . . . 0.0 110.068 176.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 57.3 tp -57.0 -44.69 83.0 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.338 0.517 . . . . 0.0 110.332 175.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -67.93 -9.84 48.47 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.73 0.812 . . . . 0.0 112.824 173.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 46.53 30.9 1.19 Allowed 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 126.284 1.834 . . . . 0.0 111.162 -169.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 53.88 26.74 6.46 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.591 1.156 . . . . 0.0 111.866 -177.415 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 35.5 mtmm -76.35 -28.1 56.7 Favored 'General case' 0 C--O 1.227 -0.099 0 O-C-N 120.813 -1.179 . . . . 0.0 111.507 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 32.2 t70 50.78 59.39 4.63 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 125.355 1.462 . . . . 0.0 110.023 -171.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -118.8 -109.24 0.36 Allowed 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.671 0.788 . . . . 0.0 109.405 177.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -131.17 119.39 21.81 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 125.516 1.526 . . . . 0.0 108.323 -174.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 86.8 t -93.95 133.65 34.27 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.173 0 N-CA-C 105.663 -1.977 . . . . 0.0 105.663 169.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -89.17 149.6 23.07 Favored 'General case' 0 N--CA 1.462 0.151 0 O-C-N 120.853 -1.154 . . . . 0.0 109.07 -169.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -42.65 -49.59 5.53 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 113.696 0.999 . . . . 0.0 113.696 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -59.75 -38.49 81.92 Favored 'General case' 0 C--O 1.225 -0.22 0 O-C-N 121.195 -0.94 . . . . 0.0 110.223 179.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -66.26 -37.56 85.78 Favored 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 121.638 -0.664 . . . . 0.0 110.237 177.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -57.54 -50.56 72.69 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.523 0.601 . . . . 0.0 110.29 172.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 26.0 mm -57.47 -51.78 65.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 O-C-N 121.721 -0.612 . . . . 0.0 111.134 176.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 9.8 m -58.84 -37.16 75.83 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.764 -0.585 . . . . 0.0 110.169 -178.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -61.57 -48.03 82.84 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.89 0.876 . . . . 0.0 110.656 174.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 tp -52.57 -48.62 66.07 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 173.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.86 -56.34 14.35 Favored Glycine 0 CA--C 1.529 0.914 0 N-CA-C 112.051 -0.42 . . . . 0.0 112.051 173.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.39 -45.23 76.65 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.361 1.064 . . . . 0.0 111.303 -177.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 81.8 mt -60.17 -56.7 18.34 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 122.173 -0.329 . . . . 0.0 110.124 175.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.15 -36.67 61.11 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.798 -0.564 . . . . 0.0 112.112 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 24.2 ttt -55.72 -18.81 9.01 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.471 1.109 . . . . 0.0 113.535 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.7 pp -61.97 -23.48 31.62 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 CA-C-N 119.72 1.145 . . . . 0.0 111.966 173.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 50.28 61.35 3.24 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 124.968 1.307 . . . . 0.0 113.208 173.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -42.59 113.09 0.42 Allowed 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.286 1.034 . . . . 0.0 110.145 170.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 54.49 40.33 31.73 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.645 0.778 . . . . 0.0 111.354 177.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 51.9 35.47 15.8 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.014 0.926 . . . . 0.0 110.905 -175.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 65.2 mt 55.87 51.04 12.83 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.507 1.123 . . . . 0.0 111.582 -171.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -43.83 -38.47 3.32 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.026 0.531 . . . . 0.0 111.813 169.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.329 0 CA-C-O 117.248 -1.862 . . . . 0.0 109.744 169.275 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.8 tmm? . . . . . 0 N--CA 1.475 0.814 0 N-CA-C 110.466 -0.198 . . . . 0.0 110.466 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -160.97 125.73 3.61 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 174.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -45.34 -60.06 3.69 Favored Pre-proline 0 CA--C 1.539 0.557 0 C-N-CA 123.918 0.887 . . . . 0.0 112.716 -176.172 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -79.57 60.06 7.66 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 122.295 1.997 . . . . 0.0 110.301 177.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.4 mt -41.93 -58.52 2.02 Favored 'General case' 0 C--N 1.342 0.243 0 C-N-CA 124.685 1.194 . . . . 0.0 111.013 -176.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -57.91 -47.46 82.77 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 123.174 0.59 . . . . 0.0 111.546 -172.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -60.4 -45.31 94.02 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.67 -61.24 1.98 Allowed 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.433 0.635 . . . . 0.0 110.149 -172.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.6 tt -66.73 -40.21 85.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.602 -175.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.77 -50.63 65.4 Favored Glycine 0 C--N 1.339 0.711 0 N-CA-C 110.515 -1.034 . . . . 0.0 110.515 176.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.9 tp -57.47 -53.72 54.92 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 118.131 0.966 . . . . 0.0 109.896 176.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.8 tp -55.2 -50.61 68.95 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 120.765 0.317 . . . . 0.0 111.484 -176.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 84.6 mt -61.31 -42.3 93.06 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.274 0 C-N-CA 123.269 0.628 . . . . 0.0 109.603 176.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.64 -54.74 28.77 Favored Glycine 0 CA--C 1.528 0.881 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 176.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 32.5 mm -60.26 -36.76 70.56 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 O-C-N 122.127 -0.631 . . . . 0.0 110.635 178.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -60.36 -55.62 31.38 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.983 0.811 . . . . 0.0 110.24 173.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -61.94 -24.98 67.33 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 124.668 1.187 . . . . 0.0 111.334 -177.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -53.54 -46.5 70.22 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 118.838 0.745 . . . . 0.0 109.265 170.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -78.36 -63.87 1.3 Allowed 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 177.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.4 m -54.91 -24.16 22.26 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -174.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.63 -30.34 13.54 Favored Glycine 0 CA--C 1.526 0.779 0 C-N-CA 125.333 1.444 . . . . 0.0 113.642 172.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -75.02 58.99 0.9 Allowed 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.402 1.601 . . . . 0.0 110.696 174.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 52.27 47.94 23.69 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.066 1.746 . . . . 0.0 112.841 176.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.56 -42.45 97.41 Favored Glycine 0 CA--C 1.532 1.096 0 N-CA-C 109.799 -1.32 . . . . 0.0 109.799 169.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.0 t70 68.23 -67.68 0.19 Allowed 'General case' 0 C--N 1.339 0.125 0 C-N-CA 127.444 2.298 . . . . 0.0 110.883 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -71.15 143.98 50.37 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 169.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -67.59 72.27 0.14 Allowed 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 122.608 1.194 . . . . 0.0 110.048 -178.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 65.6 p -146.74 171.2 15.51 Favored 'General case' 0 N--CA 1.435 -1.192 0 C-N-CA 126.705 2.002 . . . . 0.0 107.483 -169.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.7 tt -121.1 111.08 17.0 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 105.315 -2.106 . . . . 0.0 105.315 172.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.9 t -93.93 160.8 14.57 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.92 1.288 . . . . 0.0 111.469 -168.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -24.16 -64.47 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 127.855 2.462 . . . . 0.0 113.464 175.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.4 pttt -46.73 -51.71 15.57 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.248 1.819 . . . . 0.0 112.155 177.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -74.09 -34.58 64.03 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 124.938 1.295 . . . . 0.0 109.648 -175.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 36.7 tp -64.55 -46.32 83.3 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 176.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -56.3 -48.47 76.59 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.035 0.534 . . . . 0.0 110.67 171.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -51.45 -55.87 16.39 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.466 0.575 . . . . 0.0 110.896 175.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 58.7 tp -54.52 -52.09 63.1 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.399 0.68 . . . . 0.0 110.372 179.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 57.7 mt -53.62 -47.31 61.19 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 C-N-CA 123.513 0.725 . . . . 0.0 110.179 178.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -56.51 -51.66 67.66 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 178.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -55.1 -52.45 63.19 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 118.468 0.576 . . . . 0.0 111.676 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -55.31 -38.34 68.54 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 122.691 0.396 . . . . 0.0 111.668 178.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.5 tp -70.74 -39.8 73.09 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.155 0.582 . . . . 0.0 110.069 178.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 47.7 m 56.47 -87.54 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.344 1.857 . . . . 0.0 109.568 -169.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.6 pt -142.6 25.1 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 125.18 1.392 . . . . 0.0 110.606 176.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -74.77 -167.92 20.17 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 178.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 82.2 p -151.74 -104.93 0.06 Allowed 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.985 -0.715 . . . . 0.0 110.686 175.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -54.87 -66.46 0.4 Allowed 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.517 1.127 . . . . 0.0 111.958 -168.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -58.61 -49.44 77.48 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-O 121.357 0.598 . . . . 0.0 109.627 -173.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -56.92 -47.38 80.72 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.966 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -68.21 -35.9 78.71 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 118.869 -0.586 . . . . 0.0 112.343 -179.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.07 -45.79 71.81 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 169.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -64.4 -33.83 76.76 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 117.701 -1.143 . . . . 0.0 112.385 171.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 43.0 mm -62.46 -43.65 98.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 121.356 1.889 . . . . 0.0 110.281 173.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 70.4 t -61.34 -48.69 87.75 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 O-C-N 121.588 -0.695 . . . . 0.0 109.64 177.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -55.63 -48.26 75.24 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 122.096 -0.378 . . . . 0.0 110.376 176.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 69.7 tp -57.99 -50.06 74.69 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.458 0.703 . . . . 0.0 109.857 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 58.7 tpp -52.15 -54.27 32.74 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.528 0.731 . . . . 0.0 109.158 176.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -53.56 -51.94 61.3 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.794 0.438 . . . . 0.0 111.468 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -61.71 -46.53 89.27 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.288 0.635 . . . . 0.0 112.501 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 60.4 tp -79.92 -45.75 17.99 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.997 1.319 . . . . 0.0 112.694 -168.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -73.36 67.82 1.04 Allowed 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.14 0.976 . . . . 0.0 112.63 -167.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -79.69 54.49 1.82 Allowed 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.162 0.985 . . . . 0.0 109.523 173.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -166.17 -96.44 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 125.354 1.461 . . . . 0.0 107.931 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -169.91 157.44 6.71 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 126.683 1.993 . . . . 0.0 105.685 171.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -76.07 70.59 2.77 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.124 0.488 . . . . 0.0 110.795 -171.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -130.62 -58.02 1.04 Allowed 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 126.453 1.901 . . . . 0.0 108.694 174.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -145.07 151.71 38.96 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 106.568 -1.642 . . . . 0.0 106.568 172.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.8 m -116.91 150.21 18.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 169.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -91.9 160.12 15.43 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 121.52 -0.737 . . . . 0.0 110.168 -169.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -42.7 -42.76 3.62 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 169.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.0 tm0? -50.43 -45.95 56.18 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.117 -0.989 . . . . 0.0 111.165 172.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -68.83 -35.88 77.51 Favored 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 121.38 -0.825 . . . . 0.0 109.789 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -59.72 -45.64 91.55 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.1 0.864 . . . . 0.0 111.215 170.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 29.9 mm -56.61 -46.04 82.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 O-C-N 120.754 -1.216 . . . . 0.0 109.737 173.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.3 m -61.24 -36.73 80.77 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.664 -0.647 . . . . 0.0 110.668 177.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -57.26 -50.53 72.6 Favored 'General case' 0 C--N 1.339 0.15 0 CA-C-N 119.145 0.884 . . . . 0.0 109.75 173.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.1 tp -51.32 -52.17 47.8 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 176.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -52.95 -55.67 22.55 Favored Glycine 0 CA--C 1.533 1.169 0 N-CA-C 112.428 -0.269 . . . . 0.0 112.428 176.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.42 -52.74 60.8 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.001 1.32 . . . . 0.0 110.827 -175.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.51 -48.47 80.91 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 177.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.36 -32.75 26.85 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-O 118.046 -0.978 . . . . 0.0 113.134 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.2 mmm -48.48 -22.45 0.73 Allowed 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 175.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 15.7 tt -47.81 -41.57 8.9 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 CA-C-N 119.397 0.999 . . . . 0.0 111.455 171.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 21.0 m-30 57.76 -70.8 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 127.346 2.258 . . . . 0.0 115.188 174.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -22.9 -63.74 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 128.12 2.568 . . . . 0.0 115.233 -168.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 34.9 mp0 -71.39 -29.83 65.4 Favored 'General case' 0 C--N 1.333 -0.112 0 O-C-N 121.83 -0.543 . . . . 0.0 112.306 -172.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -77.63 -58.48 3.24 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 174.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.6 mt -79.38 46.16 0.71 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.275 1.03 . . . . 0.0 110.894 178.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -66.16 -37.45 85.68 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.501 0.72 . . . . 0.0 111.755 -177.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.182 0 CA-C-O 116.985 -2.009 . . . . 0.0 112.094 -173.979 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mpp? . . . . . 0 N--CA 1.475 0.776 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.59 170.39 22.49 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 106.961 -1.496 . . . . 0.0 106.961 174.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.37 143.77 64.57 Favored Pre-proline 0 CA--C 1.538 0.517 0 C-N-CA 123.171 0.588 . . . . 0.0 110.82 -177.341 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -52.34 -51.64 10.68 Favored 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 123.966 3.111 . . . . 0.0 113.515 -168.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 81.4 mt -54.72 -58.42 7.59 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 120.792 0.329 . . . . 0.0 110.491 -177.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -67.06 -33.96 76.63 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 119.033 -0.508 . . . . 0.0 111.706 -176.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.18 -46.17 91.59 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.699 0.681 . . . . 0.0 109.405 173.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.37 -49.51 69.03 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 123.072 0.549 . . . . 0.0 110.569 -176.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 85.7 mt -54.55 -52.15 43.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 173.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.31 -52.26 13.77 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 124.571 1.082 . . . . 0.0 111.403 176.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 6.1 tt -57.42 -64.95 0.72 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.444 0.698 . . . . 0.0 109.934 177.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 30.1 tp -57.37 -54.23 49.22 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 121.454 0.645 . . . . 0.0 110.733 -172.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 41.8 mm -64.6 -38.14 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 -178.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.1 -43.12 73.22 Favored Glycine 0 CA--C 1.528 0.879 0 CA-C-N 118.816 0.734 . . . . 0.0 111.981 173.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 32.5 mm -64.75 -59.09 4.69 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-N 117.963 0.881 . . . . 0.0 109.343 173.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -45.48 -51.98 10.89 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.361 1.064 . . . . 0.0 111.497 -177.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -41.2 -39.78 1.41 Allowed 'General case' 0 C--N 1.335 -0.029 0 C-N-CA 129.058 2.943 . . . . 0.0 113.227 178.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -60.7 -44.7 96.23 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 118.199 0.454 . . . . 0.0 110.123 -174.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -82.9 -72.61 0.44 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 122.207 1.003 . . . . 0.0 108.66 172.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 73.1 m -80.92 64.6 5.74 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 125.267 1.427 . . . . 0.0 110.4 -174.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 157.48 50.9 0.01 OUTLIER Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 176.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.12 70.71 1.1 Allowed 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 117.621 0.711 . . . . 0.0 110.416 179.193 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 67.91 -63.71 0.31 Allowed 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 126.467 1.907 . . . . 0.0 109.756 -170.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.02 131.09 48.33 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 108.443 -1.863 . . . . 0.0 108.443 169.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -76.03 60.62 1.43 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.078 0.951 . . . . 0.0 112.097 -171.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -71.05 73.08 0.61 Allowed 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 172.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 41.5 p-80 -76.19 47.19 0.44 Allowed 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.974 0.893 . . . . 0.0 110.776 177.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 34.5 p -145.7 152.49 39.69 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 105.255 -2.128 . . . . 0.0 105.255 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 19.2 tp -122.57 135.96 54.76 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.274 1.03 . . . . 0.0 108.319 -174.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 70.4 p -92.02 155.32 18.19 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 174.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 50.3 pttt -54.79 -33.87 61.96 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 122.418 -0.176 . . . . 0.0 110.949 171.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -58.13 -60.56 3.56 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.55 0.74 . . . . 0.0 110.215 172.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -53.78 -45.57 70.74 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 121.838 -0.539 . . . . 0.0 110.853 178.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 41.9 tp -58.57 -53.8 54.2 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.557 0.743 . . . . 0.0 110.676 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -45.91 91.96 Favored 'General case' 0 C--O 1.226 -0.134 0 CA-C-N 118.938 0.79 . . . . 0.0 110.696 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.8 -46.51 74.51 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.875 0.762 . . . . 0.0 111.048 175.368 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 55.1 tp -59.31 -51.49 69.72 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 121.848 -0.532 . . . . 0.0 110.621 177.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 78.3 mt -62.76 -41.31 91.93 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-N 118.971 0.805 . . . . 0.0 109.858 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -55.09 -47.3 75.12 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 121.333 -0.854 . . . . 0.0 110.025 174.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -62.28 -55.74 25.35 Favored 'General case' 0 CA--C 1.53 0.2 0 O-C-N 121.824 -0.548 . . . . 0.0 110.529 177.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -43.33 -44.61 5.62 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.649 1.98 . . . . 0.0 111.814 175.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 86.9 mt -93.98 -2.15 53.53 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.381 0.673 . . . . 0.0 112.442 -176.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 41.2 p 53.5 -104.58 0.21 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.731 1.612 . . . . 0.0 112.031 174.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 38.3 pt -81.72 -32.03 11.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 C-N-CA 124.489 1.116 . . . . 0.0 111.405 -178.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -53.79 -43.17 69.93 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 110.127 -1.189 . . . . 0.0 110.127 -176.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.9 m -31.86 -43.1 0.07 Allowed 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 128.695 2.798 . . . . 0.0 113.985 169.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -51.75 -38.27 54.7 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.212 0.605 . . . . 0.0 111.816 -177.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -102.35 -42.01 6.14 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 122.997 0.519 . . . . 0.0 110.422 174.031 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -63.27 -22.97 67.21 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-O 118.148 -0.93 . . . . 0.0 113.059 -174.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -59.74 -30.74 69.05 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 121.006 1.73 . . . . 0.0 114.455 -172.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.15 -47.02 72.4 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 121.491 0.662 . . . . 0.0 109.283 169.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -68.69 -33.01 73.24 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 117.802 -1.094 . . . . 0.0 111.058 174.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 90.5 mt -59.51 -52.48 60.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 121.016 1.735 . . . . 0.0 109.223 175.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 80.7 t -56.39 -50.97 69.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 122.718 0.407 . . . . 0.0 110.074 178.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -54.67 -45.99 73.98 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 119.86 -0.114 . . . . 0.0 110.925 178.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 65.5 tp -60.46 -51.05 71.1 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.957 0.903 . . . . 0.0 110.119 -179.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 47.0 mtm -54.37 -54.28 42.68 Favored 'General case' 0 C--N 1.339 0.125 0 CA-C-N 117.99 0.359 . . . . 0.0 110.191 177.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -53.98 -53.21 56.06 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 122.249 0.22 . . . . 0.0 110.998 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -59.88 -44.25 94.3 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.175 0.99 . . . . 0.0 111.689 -176.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -72.95 -59.19 2.82 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 -176.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -81.97 56.14 3.02 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.174 0.59 . . . . 0.0 110.864 -170.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -56.12 -38.45 70.8 Favored 'General case' 0 N--CA 1.462 0.149 0 O-C-N 122.033 -0.417 . . . . 0.0 111.298 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 25.0 p-10 -63.74 -51.54 64.47 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 122.99 0.516 . . . . 0.0 111.063 -178.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -152.12 76.72 1.18 Allowed 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.893 0.877 . . . . 0.0 110.583 -173.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -73.59 69.1 1.23 Allowed 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 168.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -149.83 -100.33 0.07 Allowed 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 126.128 1.771 . . . . 0.0 108.173 -171.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -120.23 127.93 52.88 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 127.056 2.142 . . . . 0.0 105.956 171.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 35.9 m -119.77 154.55 22.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 C-N-CA 124.594 1.158 . . . . 0.0 108.896 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -91.83 158.74 16.16 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 122.952 0.501 . . . . 0.0 109.953 -171.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -39.05 -47.12 1.47 Allowed 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 170.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -57.13 -39.09 74.46 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.055 -1.028 . . . . 0.0 111.473 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -70.75 -40.94 72.39 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 121.553 -0.717 . . . . 0.0 109.785 177.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -54.16 -50.74 66.3 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.18 0.446 . . . . 0.0 110.404 172.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 10.4 mm -53.32 -50.95 44.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 O-C-N 121.897 -0.502 . . . . 0.0 110.334 173.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 30.2 m -58.05 -38.0 75.45 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.73 -0.607 . . . . 0.0 111.02 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -58.97 -47.63 84.44 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.876 0.87 . . . . 0.0 109.531 175.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.37 -49.82 71.31 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 174.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.57 -56.21 9.91 Favored Glycine 0 C--O 1.222 -0.647 0 C-N-CA 124.469 1.033 . . . . 0.0 111.285 177.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.08 -52.54 64.89 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 118.333 1.067 . . . . 0.0 110.724 177.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 58.4 tp -54.14 -37.61 64.57 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.976 0.911 . . . . 0.0 111.615 -177.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.68 -52.87 7.41 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 117.966 0.348 . . . . 0.0 111.306 175.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 52.2 ttm -52.35 -38.45 58.74 Favored 'General case' 0 CA--C 1.528 0.109 0 C-N-CA 125.989 1.715 . . . . 0.0 111.682 -174.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 13.8 tt -54.31 -27.02 16.49 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 177.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -75.35 48.36 0.42 Allowed 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.813 0.845 . . . . 0.0 110.793 175.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.86 150.66 41.23 Favored 'General case' 0 N--CA 1.455 -0.183 0 O-C-N 121.28 -0.888 . . . . 0.0 109.125 178.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 70.86 -59.53 0.53 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.612 1.565 . . . . 0.0 109.725 -169.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.27 -35.69 62.83 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.383 1.073 . . . . 0.0 112.493 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 15.5 mt -53.73 -32.35 51.75 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 171.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 45.0 mttp 52.43 -115.28 0.91 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.724 1.21 . . . . 0.0 111.28 -178.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 117.52 -1.711 . . . . 0.0 108.982 -169.78 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.3 mtt . . . . . 0 N--CA 1.473 0.718 0 CA-C-O 121.408 0.623 . . . . 0.0 110.699 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.84 -147.49 0.12 Allowed 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.913 0.885 . . . . 0.0 110.482 174.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.361 58.4 m 32.3 -95.96 0.0 OUTLIER Pre-proline 0 CA--C 1.544 0.737 0 C-N-CA 125.887 1.675 . . . . 0.0 114.836 -169.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -75.16 60.72 5.63 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 CA-C-N 122.834 2.048 . . . . 0.0 110.588 176.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 mt -45.61 -61.12 1.83 Allowed 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 126.094 1.758 . . . . 0.0 110.504 -172.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -59.97 -44.78 94.24 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 112.33 0.492 . . . . 0.0 112.33 -171.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -62.53 -44.76 95.56 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 177.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.65 -54.51 10.13 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.248 0.546 . . . . 0.0 110.0 -169.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.5 mm -52.31 -52.47 24.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 170.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.79 -51.69 12.65 Favored Glycine 0 CA--C 1.525 0.677 0 C-N-CA 124.304 0.954 . . . . 0.0 112.179 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -59.89 -54.1 50.15 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 117.719 0.76 . . . . 0.0 110.215 178.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -60.53 -53.06 62.02 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.179 0.592 . . . . 0.0 110.992 -173.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mp -53.41 -50.7 47.03 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.263 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 171.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -45.64 -56.87 6.24 Favored Glycine 0 CA--C 1.525 0.681 0 C-N-CA 124.9 1.238 . . . . 0.0 111.916 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.1 tt -64.78 -49.98 77.54 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 CA-C-N 117.875 0.837 . . . . 0.0 110.931 177.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -58.21 -44.07 87.96 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.827 0.739 . . . . 0.0 111.531 -172.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -50.29 -30.05 11.06 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 126.174 1.789 . . . . 0.0 111.447 177.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -60.45 -47.99 83.72 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 119.534 1.061 . . . . 0.0 109.787 175.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -61.33 -49.57 76.46 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.0 m -48.2 -51.15 26.54 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.821 -0.172 . . . . 0.0 110.625 172.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.12 -56.95 9.47 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 125.424 1.488 . . . . 0.0 111.507 177.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -77.92 60.92 2.42 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 118.103 0.951 . . . . 0.0 111.233 174.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 62.88 26.55 15.62 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 126.4 1.88 . . . . 0.0 114.075 169.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.55 48.34 3.42 Favored Glycine 0 CA--C 1.532 1.12 0 CA-C-N 119.197 0.908 . . . . 0.0 111.923 175.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.7 t70 53.76 -75.21 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 128.057 2.543 . . . . 0.0 113.485 -178.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -150.01 -54.67 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 127.296 2.238 . . . . 0.0 106.199 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -151.47 60.39 0.89 Allowed 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.643 173.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.5 p -135.85 170.19 16.39 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 173.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.1 mt -118.91 113.84 21.67 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 126.162 1.785 . . . . 0.0 107.366 176.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.9 m -92.91 165.53 12.84 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 168.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -30.86 -52.59 0.18 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 127.527 2.331 . . . . 0.0 114.13 -171.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -63.7 -50.48 69.0 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.219 0.463 . . . . 0.0 111.257 -177.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -64.1 -43.16 96.19 Favored 'General case' 0 N--CA 1.455 -0.176 0 O-C-N 121.914 -0.491 . . . . 0.0 109.897 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 36.7 tp -58.0 -49.82 75.53 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.7 tmtm? -54.16 -49.39 69.4 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.824 0.849 . . . . 0.0 109.878 175.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -54.14 -53.48 52.77 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.59 0.632 . . . . 0.0 110.921 176.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.1 tp -54.65 -57.13 12.66 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.854 0.461 . . . . 0.0 110.045 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.6 mp -56.88 -47.49 82.97 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.245 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 -178.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -54.34 -50.6 67.04 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.53 0.732 . . . . 0.0 110.564 178.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.7 ttpp -59.46 -44.79 92.92 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 122.855 0.462 . . . . 0.0 110.912 177.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -63.38 -31.04 72.08 Favored 'General case' 0 CA--C 1.535 0.404 0 O-C-N 121.958 -0.464 . . . . 0.0 111.963 175.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.8 mt -77.16 49.96 0.72 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.071 0.948 . . . . 0.0 110.519 173.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.61 -0.26 25.81 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.614 1.166 . . . . 0.0 110.11 168.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 26.7 mm 70.36 -71.62 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.221 0 C-N-CA 126.825 2.05 . . . . 0.0 109.658 177.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 30.17 -93.88 0.01 OUTLIER Glycine 0 CA--C 1.531 1.069 0 C-N-CA 127.22 2.343 . . . . 0.0 114.845 177.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 75.8 p -71.26 -19.51 62.34 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.301 1.04 . . . . 0.0 113.595 -173.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 80.4 tttt 72.35 -50.75 0.7 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.555 1.942 . . . . 0.0 109.88 -168.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.0 mt -41.16 -51.87 3.39 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 125.237 1.415 . . . . 0.0 110.667 169.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -49.52 -40.1 36.67 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 177.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -81.01 -43.34 19.73 Favored 'General case' 0 CA--C 1.516 -0.346 0 O-C-N 121.518 -0.739 . . . . 0.0 112.193 -177.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.5 -46.94 57.44 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 170.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -59.51 -49.6 77.14 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 114.757 -1.111 . . . . 0.0 110.862 173.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.2 mp -63.53 -45.02 98.88 Favored 'Isoleucine or valine' 0 C--N 1.343 0.322 0 CA-C-N 120.873 1.669 . . . . 0.0 110.359 -174.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.8 t -55.85 -56.29 13.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 123.403 0.681 . . . . 0.0 109.54 178.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -56.2 -52.23 65.15 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 120.794 0.33 . . . . 0.0 110.674 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 79.0 mt -64.1 -49.88 70.49 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 118.994 -0.527 . . . . 0.0 110.609 -173.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.3 ptm -60.95 -41.98 97.34 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 119.195 0.907 . . . . 0.0 110.289 179.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -56.38 -54.48 45.02 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 117.831 0.287 . . . . 0.0 110.563 176.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -56.87 -48.38 78.25 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 121.133 0.492 . . . . 0.0 111.968 178.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 65.7 mt -76.27 -35.18 59.05 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.062 0.545 . . . . 0.0 112.235 -169.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -78.56 62.83 3.23 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 119.031 0.832 . . . . 0.0 111.926 -174.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 47.7 mtm-85 -74.91 64.5 1.31 Allowed 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 168.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 48.7 35.47 6.36 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.126 1.37 . . . . 0.0 111.471 -167.546 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -87.83 -13.79 41.22 Favored 'General case' 0 C--O 1.223 -0.318 0 C-N-CA 123.876 0.87 . . . . 0.0 111.547 -179.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -48.39 -23.95 1.09 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.099 0.96 . . . . 0.0 113.46 176.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -55.25 -59.48 4.73 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.236 1.014 . . . . 0.0 110.292 168.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -148.32 108.63 4.12 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.825 1.65 . . . . 0.0 110.652 171.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.9 t -92.36 127.31 44.64 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.102 0 N-CA-C 104.736 -2.32 . . . . 0.0 104.736 169.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -89.94 152.29 21.29 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 119.796 1.18 . . . . 0.0 110.461 -168.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -41.93 -44.06 3.3 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.966 0.907 . . . . 0.0 113.089 174.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -61.0 -37.85 83.99 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.23 -0.919 . . . . 0.0 111.01 178.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -67.41 -40.53 85.57 Favored 'General case' 0 N--CA 1.454 -0.275 0 O-C-N 121.452 -0.78 . . . . 0.0 109.764 173.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -56.75 -44.96 82.25 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.61 0.641 . . . . 0.0 110.634 173.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.47 -43.85 94.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 O-C-N 121.408 -0.807 . . . . 0.0 110.356 179.199 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.3 m -59.31 -43.91 92.59 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.767 -0.583 . . . . 0.0 109.457 177.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -53.98 -46.02 71.58 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.708 1.203 . . . . 0.0 110.53 170.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.55 -49.39 76.51 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 177.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -52.0 -55.69 20.05 Favored Glycine 0 N--CA 1.447 -0.571 0 CA-C-O 119.247 -0.752 . . . . 0.0 111.709 177.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.55 -55.48 28.81 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 117.789 0.795 . . . . 0.0 110.598 178.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.9 tp -53.8 -42.51 68.45 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.874 1.27 . . . . 0.0 111.041 -177.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.36 -65.28 0.75 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.167 0.587 . . . . 0.0 110.604 176.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 13.9 ptm -59.38 -26.92 65.51 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.82 0.848 . . . . 0.0 113.207 -168.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.0 tt -51.76 -31.84 13.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 CA-C-N 119.18 0.9 . . . . 0.0 111.136 174.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -72.29 14.59 0.22 Allowed 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.272 0.842 . . . . 0.0 113.272 177.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -30.83 -50.41 0.14 Allowed 'General case' 0 C--N 1.342 0.251 0 C-N-CA 127.121 2.168 . . . . 0.0 113.95 175.41 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -56.47 -38.29 71.49 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.123 0.569 . . . . 0.0 111.961 -176.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -81.89 -52.42 7.1 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 176.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 96.1 mt -54.11 -32.91 56.4 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.653 0.781 . . . . 0.0 112.194 -175.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -41.35 -44.41 2.76 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.425 1.49 . . . . 0.0 111.877 170.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.095 0 CA-C-O 117.294 -1.837 . . . . 0.0 111.71 -174.067 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 92.6 mtp . . . . . 0 N--CA 1.472 0.636 0 N-CA-C 110.787 -0.079 . . . . 0.0 110.787 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.83 -77.01 0.09 Allowed 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 122.615 0.366 . . . . 0.0 111.466 -169.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -62.47 144.56 95.42 Favored Pre-proline 0 CA--C 1.536 0.423 0 CA-C-O 118.866 -0.587 . . . . 0.0 109.892 -177.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -54.92 -47.68 25.3 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 122.683 2.256 . . . . 0.0 110.808 -177.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 88.6 mt -56.82 -39.98 75.17 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 122.85 0.46 . . . . 0.0 111.216 175.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -66.81 -49.08 66.95 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 122.058 -0.401 . . . . 0.0 110.066 -176.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -63.28 -33.92 76.56 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 119.78 -0.768 . . . . 0.0 111.473 173.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.38 -50.42 72.96 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 119.287 0.949 . . . . 0.0 110.317 177.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 78.7 mt -57.59 -46.83 86.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 174.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.15 -55.36 10.42 Favored Glycine 0 CA--C 1.529 0.958 0 C-N-CA 123.854 0.74 . . . . 0.0 111.597 175.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 7.3 mp -55.47 -56.05 24.72 Favored 'General case' 0 C--O 1.226 -0.175 0 C-N-CA 123.522 0.729 . . . . 0.0 109.553 175.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 24.4 tp -50.31 -56.44 11.26 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.184 0.447 . . . . 0.0 111.202 -176.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 47.1 mm -63.33 -50.17 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 C-N-CA 123.051 0.54 . . . . 0.0 109.895 -178.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.95 -49.57 61.92 Favored Glycine 0 CA--C 1.53 0.99 0 CA-C-N 118.68 0.673 . . . . 0.0 111.646 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 90.8 mt -57.56 -53.78 39.86 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 175.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -53.57 -44.43 69.31 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.812 -0.555 . . . . 0.0 111.654 -179.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -42.82 71.92 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.706 1.202 . . . . 0.0 110.836 175.019 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 51.3 tttm -55.8 -42.73 76.04 Favored 'General case' 0 C--N 1.34 0.169 0 CA-C-N 118.095 0.407 . . . . 0.0 109.919 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -72.1 -71.3 0.29 Allowed 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 174.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 37.9 p -51.91 -30.23 23.37 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.17 0.988 . . . . 0.0 113.495 -169.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -50.24 -42.84 41.99 Favored Glycine 0 CA--C 1.527 0.842 0 O-C-N 121.362 -0.836 . . . . 0.0 113.945 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 4.5 ptpp? -74.4 -33.51 63.03 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.561 1.18 . . . . 0.0 112.939 -169.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -164.75 30.4 0.07 Allowed 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.136 0.425 . . . . 0.0 111.606 -171.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.97 -11.32 84.82 Favored Glycine 0 CA--C 1.527 0.794 0 O-C-N 120.808 -1.183 . . . . 0.0 112.785 -173.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 25.7 t70 70.68 -63.32 0.41 Allowed 'General case' 0 C--N 1.339 0.132 0 C-N-CA 126.407 1.883 . . . . 0.0 109.891 -169.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.01 -154.84 0.66 Allowed 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 169.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -75.81 62.09 1.5 Allowed 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.836 0.827 . . . . 0.0 109.487 174.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 16.4 p -144.65 170.06 16.8 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 128.434 2.694 . . . . 0.0 105.29 -174.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 12.0 tp -118.71 141.11 48.92 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.195 0.998 . . . . 0.0 109.922 -169.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 78.6 p -121.2 162.45 20.14 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.176 0.99 . . . . 0.0 113.217 -176.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -44.46 -45.92 9.38 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.752 1.221 . . . . 0.0 112.788 178.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -55.78 -39.59 71.47 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 121.625 -0.672 . . . . 0.0 110.761 178.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -77.13 -30.82 55.35 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.673 0.789 . . . . 0.0 110.131 -178.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.93 -46.29 89.99 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 121.424 -0.797 . . . . 0.0 109.129 168.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -59.76 -41.09 90.26 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.308 -0.87 . . . . 0.0 110.756 175.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -53.75 -52.13 61.17 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.638 -0.664 . . . . 0.0 109.696 171.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 58.4 tp -55.34 -49.91 71.01 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.042 0.537 . . . . 0.0 110.934 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 95.7 mt -53.06 -54.27 17.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 176.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -56.88 -37.44 71.37 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 122.412 -0.18 . . . . 0.0 111.401 178.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -53.1 54.0 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.262 0.625 . . . . 0.0 111.084 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -69.2 -32.44 71.73 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 119.393 -0.337 . . . . 0.0 111.386 -179.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 41.9 tp -6.44 -90.68 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 128.372 2.669 . . . . 0.0 114.732 -168.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 32.8 m 68.41 -41.82 0.46 Allowed 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.878 1.671 . . . . 0.0 114.349 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . 0.375 35.6 pt 58.85 -65.3 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 128.136 2.574 . . . . 0.0 113.103 -169.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 34.96 -97.57 0.01 OUTLIER Glycine 0 CA--C 1.532 1.148 0 C-N-CA 126.442 1.972 . . . . 0.0 113.944 178.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.5 m -75.23 -2.77 29.53 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.855 1.662 . . . . 0.0 113.778 -174.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? 67.73 -60.87 0.38 Allowed 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 127.224 2.21 . . . . 0.0 111.983 -176.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 80.9 mt -49.78 -39.89 39.6 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.202 1.001 . . . . 0.0 111.154 178.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -49.62 -33.67 16.0 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 175.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -64.91 -37.42 87.57 Favored 'General case' 0 N--CA 1.455 -0.204 0 O-C-N 120.964 -1.085 . . . . 0.0 111.279 177.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.48 -40.73 87.89 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 173.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -62.85 -36.53 83.55 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 118.888 -0.577 . . . . 0.0 111.342 172.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 91.6 mt -64.17 -45.91 95.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-N 119.746 1.157 . . . . 0.0 109.184 176.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 77.5 t -59.01 -43.92 90.04 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 O-C-N 121.75 -0.594 . . . . 0.0 110.415 176.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 19.1 ttpp -56.68 -50.73 71.26 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.65 -0.656 . . . . 0.0 109.838 175.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 38.9 tp -59.5 -42.45 92.2 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 122.872 0.469 . . . . 0.0 110.707 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 2.2 ttp -55.64 -52.32 64.22 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.382 0.673 . . . . 0.0 109.794 172.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -55.33 -47.35 75.82 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 122.03 -0.418 . . . . 0.0 110.799 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -57.13 -53.12 61.67 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.825 0.85 . . . . 0.0 109.998 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 21.5 tp -53.77 -44.65 70.23 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 123.949 0.9 . . . . 0.0 110.908 175.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -68.84 -12.78 61.91 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 177.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 51.43 36.44 16.63 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 -168.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 76.8 -22.94 0.26 Allowed 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 128.575 2.75 . . . . 0.0 114.36 -175.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -78.47 67.89 4.35 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 120.973 -1.079 . . . . 0.0 110.949 -175.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -70.41 76.82 0.56 Allowed 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.552 -0.717 . . . . 0.0 110.935 179.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.49 -85.54 0.12 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 126.132 1.773 . . . . 0.0 108.192 178.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -138.62 138.11 37.56 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 106.53 -1.655 . . . . 0.0 106.53 168.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 34.5 m -139.25 158.21 28.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 124.661 1.184 . . . . 0.0 109.751 -171.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -93.32 153.32 18.62 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.054 0.542 . . . . 0.0 111.103 -169.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 93.6 t80 -45.45 -38.67 6.32 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.503 1.121 . . . . 0.0 113.131 173.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.0 tm0? -45.82 -42.78 12.72 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.134 -0.978 . . . . 0.0 111.241 172.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -73.69 -30.82 63.1 Favored 'General case' 0 N--CA 1.449 -0.507 0 O-C-N 121.456 -0.777 . . . . 0.0 109.859 -177.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -62.2 -46.36 89.23 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 121.67 -0.643 . . . . 0.0 110.352 169.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 23.9 mm -57.9 -47.22 86.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 O-C-N 122.022 -0.424 . . . . 0.0 109.948 173.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 23.5 m -56.8 -43.91 81.41 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 177.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -54.81 -50.39 68.68 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 124.04 0.936 . . . . 0.0 111.321 172.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 16.4 tp -55.41 -52.04 64.88 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 177.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -49.47 -59.38 7.21 Favored Glycine 0 C--N 1.336 0.53 0 C-N-CA 124.027 0.822 . . . . 0.0 111.693 177.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.47 -55.65 29.35 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 124.079 0.952 . . . . 0.0 110.34 -179.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 43.7 tp -57.06 -52.53 64.91 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.505 0.722 . . . . 0.0 110.657 -175.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.83 -47.45 85.65 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 122.057 -0.402 . . . . 0.0 111.192 178.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 28.6 ttt -62.91 -36.76 84.45 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 122.105 -0.372 . . . . 0.0 111.238 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 51.4 mt -62.15 -42.62 95.84 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 C-N-CA 124.172 0.989 . . . . 0.0 109.16 174.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -73.76 52.61 0.42 Allowed 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.727 0.775 . . . . 0.0 110.515 169.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -62.26 -48.53 79.49 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.675 0.79 . . . . 0.0 110.234 -169.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.65 -47.32 50.03 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.737 0.815 . . . . 0.0 111.738 177.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.76 -45.89 73.65 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 122.821 0.448 . . . . 0.0 110.324 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 34.7 tp -57.24 -32.22 66.34 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.331 0.653 . . . . 0.0 111.738 177.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 120.74 48.31 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 130.451 3.5 . . . . 0.0 111.218 169.091 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.117 0 CA-C-O 117.378 -1.79 . . . . 0.0 111.083 169.998 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.5 tpp . . . . . 0 N--CA 1.476 0.865 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.63 -29.72 27.66 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.548 1.139 . . . . 0.0 113.019 -177.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.3 p -144.73 163.53 33.0 Favored Pre-proline 0 N--CA 1.45 -0.47 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 170.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -51.86 -43.56 50.93 Favored 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 122.49 2.126 . . . . 0.0 111.308 169.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 11.0 mp -55.59 -55.09 36.05 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 175.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -63.17 -33.32 75.23 Favored 'General case' 0 C--O 1.226 -0.176 0 O-C-N 121.862 -0.524 . . . . 0.0 112.159 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -59.5 -49.58 77.22 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.701 0.682 . . . . 0.0 109.331 172.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.83 -52.96 61.11 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 122.777 0.431 . . . . 0.0 110.006 -176.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 78.0 mt -52.0 -52.97 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 175.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.87 -54.53 9.17 Favored Glycine 0 CA--C 1.525 0.718 0 C-N-CA 125.164 1.364 . . . . 0.0 111.743 177.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 36.6 mt -59.35 -49.9 76.03 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 117.548 0.674 . . . . 0.0 110.742 178.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.9 mt -57.43 -55.51 33.82 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 123.302 0.641 . . . . 0.0 111.465 -178.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.5 pt -66.72 -33.49 63.8 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.362 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.11 -60.36 9.06 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 175.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.8 tt -63.2 -34.55 67.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 118.074 0.937 . . . . 0.0 110.518 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -56.15 -50.55 70.82 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.679 -0.638 . . . . 0.0 111.37 173.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -60.27 -35.71 76.16 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 124.286 1.034 . . . . 0.0 109.495 176.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -60.68 -55.3 34.87 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.467 0.576 . . . . 0.0 109.55 176.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -54.8 -57.15 12.72 Favored 'General case' 0 C--N 1.34 0.166 0 CA-C-O 121.023 0.44 . . . . 0.0 110.27 177.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.6 t -51.49 -37.26 48.2 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.237 0.615 . . . . 0.0 111.062 178.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.15 -34.85 53.61 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 124.716 1.151 . . . . 0.0 112.71 175.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -74.63 61.36 0.96 Allowed 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.613 1.206 . . . . 0.0 110.599 178.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 54.74 34.16 21.14 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.231 1.413 . . . . 0.0 112.546 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.99 -42.32 5.36 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 108.463 -1.855 . . . . 0.0 108.463 168.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.2 t70 70.11 -64.95 0.34 Allowed 'General case' 0 C--N 1.34 0.187 0 C-N-CA 127.093 2.157 . . . . 0.0 111.981 173.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -73.18 154.41 40.3 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 174.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -77.71 65.09 3.12 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 122.099 0.952 . . . . 0.0 110.106 -177.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 58.5 p -138.05 159.46 41.97 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 105.978 -1.86 . . . . 0.0 105.978 172.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.0 mt -94.47 122.82 37.44 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 106.364 -1.717 . . . . 0.0 106.364 169.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.6 t -93.75 173.17 7.81 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.814 0.845 . . . . 0.0 109.806 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.6 mttp -37.65 -58.75 0.86 Allowed 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 126.988 2.115 . . . . 0.0 111.277 -177.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -59.65 -38.97 82.87 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.955 0.902 . . . . 0.0 112.085 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -69.83 -43.31 72.24 Favored 'General case' 0 N--CA 1.455 -0.195 0 O-C-N 121.467 -0.77 . . . . 0.0 109.932 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 54.3 tp -57.96 -46.97 84.28 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 173.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -54.75 -51.86 64.35 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.543 0.337 . . . . 0.0 110.361 175.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -53.0 -50.86 63.34 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.273 0.488 . . . . 0.0 110.556 177.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.1 tp -55.28 -55.51 30.62 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 122.251 -0.281 . . . . 0.0 110.296 178.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 71.4 mt -52.8 -47.18 51.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 C-N-CA 123.749 0.82 . . . . 0.0 110.297 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -58.26 -49.35 77.43 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.576 1.15 . . . . 0.0 110.4 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -64.97 -44.67 88.59 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 122.534 0.334 . . . . 0.0 111.323 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -56.81 -33.9 67.16 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 117.908 0.322 . . . . 0.0 110.767 172.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.9 tp 61.99 48.93 4.88 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 124.932 1.293 . . . . 0.0 109.839 173.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.7 t -72.59 71.13 0.96 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.606 0.762 . . . . 0.0 110.447 178.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.8 tt -53.29 147.29 2.33 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 168.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -57.13 66.6 0.01 OUTLIER Glycine 0 CA--C 1.533 1.209 0 C-N-CA 126.897 2.189 . . . . 0.0 115.793 -169.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.8 m -84.57 63.77 8.08 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 126.984 2.113 . . . . 0.0 107.444 179.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? 4.15 -83.44 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 129.595 3.158 . . . . 0.0 114.919 -176.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.57 -50.05 72.84 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.727 0.411 . . . . 0.0 110.188 -173.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -57.1 -44.95 83.68 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 177.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.51 -35.97 82.69 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 119.749 -0.78 . . . . 0.0 111.91 177.111 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.63 -42.95 79.72 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 119.38 0.991 . . . . 0.0 109.462 171.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -62.35 -36.1 81.17 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 118.692 -0.671 . . . . 0.0 111.809 171.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 41.4 mm -62.11 -43.46 97.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 CA-C-N 119.994 1.27 . . . . 0.0 110.282 173.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 79.8 t -60.66 -45.52 97.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 O-C-N 121.476 -0.765 . . . . 0.0 109.929 176.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -55.75 -49.02 74.23 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.92 -0.487 . . . . 0.0 110.248 175.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.4 tp -57.51 -51.61 68.76 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.378 0.671 . . . . 0.0 110.176 177.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 27.4 ttt -49.91 -53.74 24.11 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.78 0.832 . . . . 0.0 109.652 177.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -58.39 -50.45 73.64 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 122.64 0.376 . . . . 0.0 111.405 177.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -53.63 -42.15 67.48 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.882 0.873 . . . . 0.0 111.753 -178.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.3 mt -77.25 -64.06 1.23 Allowed 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.296 0.569 . . . . 0.0 110.039 176.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -78.27 73.28 4.83 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.334 1.054 . . . . 0.0 109.317 178.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 84.1 mtm-85 -73.34 69.16 1.12 Allowed 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 174.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 56.58 40.34 29.44 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.546 1.538 . . . . 0.0 111.113 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -82.17 60.22 4.83 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 174.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.1 t70 56.61 -85.6 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.48 1.512 . . . . 0.0 109.4 -168.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -158.03 32.5 0.25 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.649 1.179 . . . . 0.0 109.158 169.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -106.94 170.58 7.86 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 125.482 1.513 . . . . 0.0 107.465 -178.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 81.1 t -126.06 131.28 71.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 106.358 -1.719 . . . . 0.0 106.358 169.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -93.16 152.13 19.42 Favored 'General case' 0 CA--C 1.53 0.201 0 O-C-N 121.641 -0.662 . . . . 0.0 109.586 -174.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -45.6 -43.09 11.95 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 174.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.08 -47.95 44.63 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.81 0.814 . . . . 0.0 110.195 173.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -70.95 -34.65 71.67 Favored 'General case' 0 N--CA 1.447 -0.59 0 O-C-N 121.804 -0.56 . . . . 0.0 110.819 -177.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -58.98 -48.98 79.63 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 118.897 0.771 . . . . 0.0 110.686 170.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 40.3 mm -55.72 -53.86 32.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 O-C-N 121.881 -0.512 . . . . 0.0 110.123 174.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 21.1 m -57.27 -38.32 73.72 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 121.942 -0.474 . . . . 0.0 110.403 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -63.55 -42.42 98.39 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 125.175 1.39 . . . . 0.0 110.526 177.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.7 tt -53.9 -50.04 67.24 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 172.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.94 -57.14 9.02 Favored Glycine 0 CA--C 1.527 0.787 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.753 172.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.35 -48.97 70.83 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.356 1.063 . . . . 0.0 111.773 -178.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 80.5 mt -54.25 -58.81 5.97 Favored 'General case' 0 CA--C 1.528 0.12 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 177.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.65 -43.41 76.24 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 27.5 ttp -62.36 -14.16 36.93 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 125.503 1.521 . . . . 0.0 113.093 -173.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.7 tp -58.84 -35.68 57.39 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-N 119.101 0.864 . . . . 0.0 109.787 169.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 64.9 -50.87 0.33 Allowed 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 128.349 2.66 . . . . 0.0 115.042 176.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -44.84 119.88 2.12 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 119.288 0.949 . . . . 0.0 111.407 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 67.61 -63.49 0.3 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.965 1.706 . . . . 0.0 111.752 -171.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.67 -49.92 3.05 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 125.733 1.613 . . . . 0.0 112.859 -175.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 38.1 tp -54.55 -29.36 50.7 Favored 'General case' 0 C--O 1.225 -0.206 0 C-N-CA 123.885 0.874 . . . . 0.0 112.326 -175.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -53.31 -41.91 66.15 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.872 0.76 . . . . 0.0 110.922 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.207 0 CA-C-O 116.996 -2.002 . . . . 0.0 112.424 179.841 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.3 mmt . . . . . 0 N--CA 1.475 0.783 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.62 50.18 0.8 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.527 0.731 . . . . 0.0 111.342 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.2 159.69 55.27 Favored Pre-proline 0 CA--C 1.537 0.445 0 C-N-CA 123.722 0.809 . . . . 0.0 108.844 171.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -50.56 -49.59 16.18 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 123.469 2.779 . . . . 0.0 112.241 -175.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -52.16 -53.51 42.16 Favored 'General case' 0 C--O 1.226 -0.18 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 175.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -63.69 -49.35 73.49 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 122.648 0.379 . . . . 0.0 110.852 -172.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -53.14 -48.21 68.1 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.086 0.554 . . . . 0.0 109.518 175.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.18 -57.17 6.46 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 120.827 0.346 . . . . 0.0 110.61 -172.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 91.6 mt -53.27 -50.41 47.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 124.231 1.012 . . . . 0.0 108.521 177.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.75 -57.75 10.33 Favored Glycine 0 CA--C 1.524 0.644 0 C-N-CA 124.4 1.0 . . . . 0.0 111.473 178.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 71.7 mt -54.9 -55.26 32.45 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 117.314 0.557 . . . . 0.0 110.391 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 44.5 mt -55.78 -57.87 10.21 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 122.445 0.298 . . . . 0.0 111.028 -176.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 8.6 tp -66.11 -40.87 88.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 O-C-N 122.236 -0.29 . . . . 0.0 110.381 -174.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.07 -59.15 11.15 Favored Glycine 0 C--N 1.337 0.613 0 N-CA-C 110.281 -1.127 . . . . 0.0 110.281 175.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 88.1 mt -53.38 -48.8 56.22 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 O-C-N 122.197 -0.59 . . . . 0.0 109.439 178.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -56.68 -46.2 81.31 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -58.89 -47.58 84.44 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.113 0.565 . . . . 0.0 110.156 175.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 56.7 mttm -65.76 -45.45 82.49 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.061 0.458 . . . . 0.0 109.913 -171.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -80.59 -82.44 0.12 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.513 177.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.46 -39.78 81.3 Favored 'General case' 0 N--CA 1.449 -0.483 0 O-C-N 120.875 -1.141 . . . . 0.0 111.484 -169.062 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.92 -62.88 5.87 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 178.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.21 -42.44 99.29 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 117.455 0.628 . . . . 0.0 111.607 -177.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -86.05 -51.45 6.32 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.218 0.463 . . . . 0.0 112.035 -170.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.2 -36.78 9.57 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 124.167 0.889 . . . . 0.0 111.838 -175.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 7.9 t70 60.48 -157.69 0.33 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.678 1.191 . . . . 0.0 109.384 -171.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? 39.12 32.76 0.07 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 127.033 2.133 . . . . 0.0 113.852 -176.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 44.3 m80 39.98 47.64 1.97 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.087 1.355 . . . . 0.0 112.29 -170.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 5.8 t -144.05 160.37 41.0 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 122.739 1.257 . . . . 0.0 111.993 -171.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 9.2 mp -101.71 165.41 11.23 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 127.686 2.394 . . . . 0.0 105.044 165.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 79.3 p -130.12 170.03 14.57 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 126.816 2.046 . . . . 0.0 106.093 169.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 33.6 tttp -54.42 -39.87 67.76 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 171.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -60.11 -58.96 6.29 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.847 0.859 . . . . 0.0 110.59 177.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -56.05 -43.88 78.33 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 118.196 0.453 . . . . 0.0 110.584 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 57.4 tp -59.24 -52.35 66.03 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.27 0.628 . . . . 0.0 109.904 -179.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -52.56 -53.97 39.2 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 124.212 1.005 . . . . 0.0 110.042 176.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -54.51 -53.39 55.06 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 122.845 0.458 . . . . 0.0 110.589 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 55.5 tp -54.97 -56.94 14.06 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 97.7 mt -59.19 -48.32 87.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -174.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.42 -43.75 79.72 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 118.363 0.529 . . . . 0.0 110.628 178.138 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -62.78 -46.56 87.43 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 122.544 0.338 . . . . 0.0 110.757 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -62.83 -38.35 90.39 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 122.33 -0.231 . . . . 0.0 111.216 175.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 32.4 tp -117.9 68.81 0.77 Allowed 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 125.39 1.476 . . . . 0.0 109.531 -168.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 13.5 p -66.89 -62.4 1.46 Allowed 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 174.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 19.8 tt -61.65 158.68 2.72 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 C-N-CA 123.57 0.748 . . . . 0.0 109.237 169.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.04 -44.06 2.95 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 121.067 -1.02 . . . . 0.0 112.912 174.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 50.8 p -21.01 -65.0 0.03 OUTLIER 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 128.144 2.577 . . . . 0.0 113.447 178.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -40.41 -43.66 1.84 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.429 1.492 . . . . 0.0 112.92 -178.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -90.69 -56.34 3.22 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.636 0.774 . . . . 0.0 109.194 175.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -53.99 -26.77 27.72 Favored 'General case' 0 C--O 1.225 -0.202 0 C-N-CA 124.153 0.981 . . . . 0.0 113.127 -171.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -59.74 -24.32 63.93 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 119.67 1.123 . . . . 0.0 112.261 178.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.19 -36.41 65.87 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 118.824 0.738 . . . . 0.0 110.657 169.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -80.27 -47.29 14.79 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.926 1.29 . . . . 0.0 109.54 172.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 18.7 mm -62.96 -37.8 80.26 Favored 'Isoleucine or valine' 0 C--N 1.343 0.293 0 C-N-CA 120.002 -0.679 . . . . 0.0 110.937 -170.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.1 p -56.78 -43.98 80.82 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 119.146 0.885 . . . . 0.0 110.743 176.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -63.1 -49.22 75.32 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 176.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 51.3 tp -54.49 -50.32 68.08 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.203 0.456 . . . . 0.0 110.878 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 70.0 mtm -57.2 -49.25 76.59 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.213 0.605 . . . . 0.0 110.478 176.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -56.77 -45.52 82.04 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.422 0.555 . . . . 0.0 111.44 178.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -61.24 -47.87 84.07 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.564 0.746 . . . . 0.0 110.227 -178.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 56.2 mt -69.31 -61.01 1.96 Allowed 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 120.755 0.312 . . . . 0.0 110.347 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -78.19 56.69 1.71 Allowed 'General case' 0 C--O 1.233 0.197 0 C-N-CA 123.919 0.888 . . . . 0.0 109.921 176.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.08 80.65 1.73 Allowed 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 106.907 -1.516 . . . . 0.0 106.907 175.107 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 19.2 m-20 84.96 -35.05 0.05 Allowed 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 126.775 2.03 . . . . 0.0 110.78 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -72.9 52.05 0.3 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.642 1.177 . . . . 0.0 112.516 -178.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -49.98 -37.75 33.82 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.877 1.271 . . . . 0.0 113.278 -171.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -103.3 -5.8 22.66 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.578 0.751 . . . . 0.0 112.043 -177.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -132.83 67.86 1.52 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.305 0.957 . . . . 0.0 113.448 -167.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 78.5 t -98.17 97.43 6.11 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 N-CA-C 103.522 -2.769 . . . . 0.0 103.522 166.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -87.22 158.62 19.07 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-O 121.209 0.528 . . . . 0.0 112.131 -164.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -39.87 -49.2 2.39 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.208 1.403 . . . . 0.0 113.446 176.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 27.5 mm100 -64.85 -31.0 72.03 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 120.84 -1.162 . . . . 0.0 111.836 178.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -70.28 -37.94 74.95 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.23 -0.919 . . . . 0.0 109.84 172.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -59.58 -46.14 89.81 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.808 0.731 . . . . 0.0 110.095 172.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 16.6 mm -55.81 -50.67 66.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 O-C-N 121.717 -0.614 . . . . 0.0 110.339 173.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 28.8 m -56.46 -40.8 75.44 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.602 -0.686 . . . . 0.0 110.234 177.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -63.11 -38.52 91.49 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.062 0.545 . . . . 0.0 111.313 175.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 tt -55.21 -51.42 66.62 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 170.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.15 -53.07 16.09 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 123.398 0.523 . . . . 0.0 111.969 174.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.51 -47.77 84.23 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 117.64 0.72 . . . . 0.0 111.566 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 35.0 tp -59.42 -45.85 90.38 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.135 0.974 . . . . 0.0 109.918 -178.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.35 -52.55 65.13 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 171.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 17.1 tmm? -50.89 -48.72 60.32 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 123.85 0.86 . . . . 0.0 111.32 -177.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 44.7 pt -65.32 -19.44 25.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 118.952 0.796 . . . . 0.0 112.963 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 12.2 m-30 -70.76 -13.62 62.12 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 119.566 1.076 . . . . 0.0 111.235 170.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 38.4 t30 34.64 -73.89 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 130.198 3.399 . . . . 0.0 116.227 168.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 23.7 mp0 -52.09 -41.91 62.79 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.755 0.822 . . . . 0.0 109.638 176.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.9 -31.59 50.47 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.469 0.708 . . . . 0.0 112.219 176.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 14.5 mt -98.24 16.72 20.54 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.211 1.004 . . . . 0.0 111.143 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt 54.85 39.79 31.64 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.76 0.824 . . . . 0.0 111.22 -171.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.144 0 CA-C-O 117.357 -1.802 . . . . 0.0 110.184 -177.557 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.8 mtp . . . . . 0 N--CA 1.473 0.712 0 CA-C-O 120.615 0.245 . . . . 0.0 110.608 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.32 -35.25 79.76 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.207 0.603 . . . . 0.0 111.906 -176.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -170.86 165.84 4.82 Favored Pre-proline 0 CA--C 1.534 0.345 0 C-N-CA 125.762 1.625 . . . . 0.0 107.608 -177.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_exo -46.6 -50.25 10.78 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 123.813 3.009 . . . . 0.0 114.162 -174.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.9 tp -59.42 -42.93 92.98 Favored 'General case' 0 CA--C 1.528 0.116 0 O-C-N 121.683 -0.636 . . . . 0.0 110.714 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -64.86 -41.04 96.01 Favored 'General case' 0 N--CA 1.455 -0.201 0 O-C-N 121.918 -0.489 . . . . 0.0 110.679 178.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -58.11 -44.54 87.75 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 122.244 -0.285 . . . . 0.0 110.311 172.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.13 -51.32 66.98 Favored 'General case' 0 N--CA 1.457 -0.099 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -177.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 86.5 mt -51.72 -51.23 28.31 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.205 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 173.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.65 -52.8 19.1 Favored Glycine 0 CA--C 1.529 0.964 0 C-N-CA 124.332 0.968 . . . . 0.0 111.905 176.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -57.18 -55.81 29.86 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.7 mp -51.8 -60.63 2.95 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.914 0.886 . . . . 0.0 111.442 -178.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 pp -58.96 -43.67 89.26 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.141 0 CA-C-N 118.177 0.444 . . . . 0.0 110.022 -177.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.66 -60.93 8.1 Favored Glycine 0 C--N 1.338 0.646 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 -179.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 16.1 tt -62.96 -41.31 92.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.229 -177.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -62.19 -41.87 98.76 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 118.594 0.633 . . . . 0.0 111.681 -178.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -59.0 -44.1 91.61 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 122.961 0.504 . . . . 0.0 110.625 173.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -65.88 -62.58 1.42 Allowed 'General case' 0 CA--C 1.528 0.129 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -178.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -51.85 -81.43 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 127.273 2.229 . . . . 0.0 110.463 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.86 70.08 8.69 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.175 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 178.36 -62.17 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.429 0 N-CA-C 111.415 -0.674 . . . . 0.0 111.415 174.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.61 -39.52 14.02 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -114.64 31.57 6.55 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.632 1.173 . . . . 0.0 110.657 -173.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.46 175.91 37.14 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 109.188 -1.565 . . . . 0.0 109.188 -171.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -63.75 151.0 43.28 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.584 0.753 . . . . 0.0 110.997 -172.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.2 94.43 0.15 Allowed 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 125.329 1.451 . . . . 0.0 111.654 -168.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 59.04 35.68 24.04 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 126.013 1.725 . . . . 0.0 111.68 170.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.4 t -145.15 141.61 28.9 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 177.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 tt -111.13 129.81 55.82 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 125.876 1.671 . . . . 0.0 107.753 -173.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.6 t -145.27 174.7 10.87 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 126.792 2.037 . . . . 0.0 108.593 -178.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.46 -33.43 9.34 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.973 0.909 . . . . 0.0 112.386 178.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -55.72 -55.39 32.87 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.055 0.942 . . . . 0.0 110.129 173.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.2 mp0 -65.95 -39.72 90.71 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.291 0.637 . . . . 0.0 109.479 -177.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.97 -55.56 31.29 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 174.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -50.97 -54.9 20.33 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.612 1.165 . . . . 0.0 109.81 178.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -57.08 -43.2 81.92 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 117.902 0.319 . . . . 0.0 111.656 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.4 tp -59.46 -54.98 40.38 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 118.323 0.511 . . . . 0.0 110.773 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 36.6 pt -64.66 -39.39 85.46 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.235 0 C-N-CA 120.029 -0.668 . . . . 0.0 110.442 -178.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -54.76 -49.05 71.8 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 121.589 -0.694 . . . . 0.0 110.355 175.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -66.53 -54.58 22.16 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.092 0.557 . . . . 0.0 111.306 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -92.0 7.56 41.65 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -169.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 42.3 tp 69.1 -53.15 0.58 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.956 1.702 . . . . 0.0 111.233 -169.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.6 t -156.13 148.04 23.11 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 125.753 1.621 . . . . 0.0 106.625 176.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 tp -77.98 54.44 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 170.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.21 -80.53 0.07 OUTLIER Glycine 0 CA--C 1.529 0.941 0 N-CA-C 108.446 -1.862 . . . . 0.0 108.446 -167.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.9 m 74.03 -46.72 0.63 Allowed 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 128.202 2.601 . . . . 0.0 113.542 169.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.9 mtmm 64.26 -72.78 0.06 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 126.239 1.816 . . . . 0.0 109.702 -170.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 67.3 mt -80.8 61.8 4.58 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 176.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -36.92 -65.92 0.26 Allowed 'General case' 0 C--O 1.226 -0.142 0 C-N-CA 125.707 1.603 . . . . 0.0 113.4 -169.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -67.38 -43.24 81.85 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -172.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -49.93 -46.0 51.67 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 173.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -64.15 -43.56 94.82 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 117.031 -1.461 . . . . 0.0 112.033 174.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.6 pt -62.68 -45.39 98.95 Favored 'Isoleucine or valine' 0 C--N 1.346 0.428 0 CA-C-N 121.935 2.152 . . . . 0.0 110.569 -177.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.9 p -66.62 -42.82 90.4 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.623 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 65.8 tttp -57.97 -49.17 77.71 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 118.318 0.508 . . . . 0.0 110.461 176.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.1 mt -63.26 -48.07 79.73 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 122.777 0.431 . . . . 0.0 109.92 -178.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -51.31 -50.35 59.54 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.545 0.611 . . . . 0.0 110.127 173.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -59.66 -51.02 71.58 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 120.592 0.234 . . . . 0.0 111.053 -178.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -55.94 -50.26 71.23 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.666 0.787 . . . . 0.0 111.587 178.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 51.0 mt -79.91 -47.75 14.54 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.298 0.639 . . . . 0.0 111.995 -169.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -118.18 -31.52 4.98 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 124.207 1.003 . . . . 0.0 112.705 -169.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.42 -62.83 0.43 Allowed 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 124.147 0.979 . . . . 0.0 111.353 175.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -134.96 -68.13 0.54 Allowed 'General case' 0 N--CA 1.457 -0.099 0 C-N-CA 123.888 0.875 . . . . 0.0 110.398 -177.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -151.5 160.6 43.63 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 32.77 56.22 0.42 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 127.252 2.221 . . . . 0.0 115.679 169.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -135.95 147.16 47.95 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 168.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -142.5 150.13 40.08 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 105.941 -1.874 . . . . 0.0 105.941 -178.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 6.0 m -110.11 147.45 14.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 176.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -90.63 166.63 13.07 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.239 -0.913 . . . . 0.0 109.6 -169.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -37.94 -49.45 1.24 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.508 1.123 . . . . 0.0 113.442 173.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -58.68 -37.23 75.59 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.535 1.061 . . . . 0.0 111.242 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -73.97 -34.03 64.08 Favored 'General case' 0 N--CA 1.452 -0.36 0 O-C-N 121.338 -0.852 . . . . 0.0 111.165 176.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -52.66 -53.43 47.31 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 119.29 0.95 . . . . 0.0 109.502 171.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -51.28 74.48 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.289 0 C-N-CA 119.289 -0.964 . . . . 0.0 110.19 175.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.9 m -49.26 -44.63 43.94 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.155 0.889 . . . . 0.0 111.465 -179.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -61.5 -47.49 85.38 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.473 1.109 . . . . 0.0 110.519 176.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.3 tt -48.2 -52.35 21.3 Favored 'General case' 0 C--N 1.342 0.268 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 172.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.67 -52.41 45.86 Favored Glycine 0 C--O 1.225 -0.463 0 CA-C-O 119.367 -0.685 . . . . 0.0 111.72 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.34 -54.71 43.73 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 118.395 1.098 . . . . 0.0 110.821 178.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -54.11 -42.52 69.53 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 125.916 1.686 . . . . 0.0 110.791 -177.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.95 -47.44 45.45 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.848 0.859 . . . . 0.0 111.223 178.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 27.5 ttt -67.44 -41.48 84.69 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 123.632 0.773 . . . . 0.0 111.938 -169.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 18.4 tt -39.42 -42.96 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 C-N-CA 124.797 1.239 . . . . 0.0 114.284 -169.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -57.71 -41.91 82.69 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.893 -0.505 . . . . 0.0 111.805 -179.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 60.18 -69.18 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 127.159 2.184 . . . . 0.0 112.727 -179.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -50.75 -41.88 56.99 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 124.646 1.178 . . . . 0.0 110.934 179.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.15 -31.07 68.64 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 178.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 61.7 mt -75.03 -44.28 48.79 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 177.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -65.41 -44.96 85.8 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 122.485 0.314 . . . . 0.0 110.695 -178.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.207 0 CA-C-O 116.579 -2.234 . . . . 0.0 109.286 175.412 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 49.4 ttp . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 68.39 -65.12 0.28 Allowed 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 126.322 1.849 . . . . 0.0 112.013 -178.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 19.9 m 40.76 60.8 7.41 Favored Pre-proline 0 CA--C 1.537 0.48 0 C-N-CA 125.123 1.369 . . . . 0.0 113.586 178.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -54.77 -40.22 85.88 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 123.104 2.536 . . . . 0.0 111.782 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -57.45 -37.81 73.45 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.572 -0.705 . . . . 0.0 112.156 173.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -68.87 -42.45 77.02 Favored 'General case' 0 N--CA 1.457 -0.088 0 O-C-N 121.386 -0.821 . . . . 0.0 110.037 177.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -54.41 -44.53 72.43 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 171.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.14 -43.98 96.84 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.036 0.535 . . . . 0.0 111.194 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 84.9 mt -54.51 -48.14 70.38 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 171.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.05 -55.43 11.87 Favored Glycine 0 CA--C 1.529 0.939 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 173.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 96.0 mt -56.9 -46.73 81.72 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 117.56 0.68 . . . . 0.0 111.061 177.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 34.8 tp -59.08 -47.52 84.94 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.238 0.615 . . . . 0.0 110.624 -178.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 92.3 mt -58.06 -48.68 83.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 173.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -44.45 -61.56 3.19 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 124.638 1.114 . . . . 0.0 111.029 175.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 68.6 mt -54.67 -62.32 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 124.389 1.076 . . . . 0.0 109.416 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -56.73 -54.58 44.58 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -169.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -62.17 -30.83 71.33 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-O 119.484 -0.293 . . . . 0.0 110.728 -175.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -62.48 -50.63 70.65 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.409 0.55 . . . . 0.0 109.793 -178.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -70.17 -58.24 4.02 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 177.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 88.3 p -61.42 -23.15 65.63 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -174.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.19 -31.19 33.52 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 124.79 1.186 . . . . 0.0 112.493 171.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -76.11 60.71 1.48 Allowed 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.773 1.286 . . . . 0.0 109.784 174.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 161.94 -63.18 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 128.748 2.819 . . . . 0.0 105.407 -169.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.47 -66.44 1.3 Allowed Glycine 0 CA--C 1.527 0.841 0 C-N-CA 124.644 1.116 . . . . 0.0 112.891 169.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -41.63 -56.78 2.49 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.658 1.583 . . . . 0.0 113.301 -169.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 27.5 mtmm -100.05 17.9 19.92 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 118.819 -0.61 . . . . 0.0 111.867 -177.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 20.21 78.05 0.01 OUTLIER 'General case' 0 C--N 1.345 0.393 0 C-N-CA 127.097 2.159 . . . . 0.0 112.9 -168.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 8.5 t -141.33 149.45 41.2 Favored 'General case' 0 N--CA 1.436 -1.143 0 CA-C-N 114.151 -1.386 . . . . 0.0 108.013 -172.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 65.8 mt -92.5 104.7 16.99 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 105.448 -2.056 . . . . 0.0 105.448 169.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.35 170.89 9.42 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 106.851 -1.537 . . . . 0.0 106.851 170.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -41.73 -52.76 3.83 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.186 0.994 . . . . 0.0 113.358 -169.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.37 -55.74 28.08 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 121.063 0.459 . . . . 0.0 110.797 -179.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -60.02 -44.99 94.24 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.992 0.917 . . . . 0.0 110.318 -177.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 8.5 tt -56.81 -56.47 21.17 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.446 1.098 . . . . 0.0 109.686 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -53.57 -50.36 65.74 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.614 0.766 . . . . 0.0 110.141 177.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -53.59 -50.62 65.23 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 122.73 0.412 . . . . 0.0 110.143 178.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.7 tt -55.36 -56.88 15.05 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.107 0.563 . . . . 0.0 110.677 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 36.6 pt -64.52 -30.75 51.09 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 C-N-CA 120.016 -0.674 . . . . 0.0 112.054 -176.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -65.4 -61.89 1.85 Allowed 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 118.513 0.597 . . . . 0.0 110.39 172.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -56.66 -49.03 76.24 Favored 'General case' 0 N--CA 1.46 0.065 0 C-N-CA 123.28 0.632 . . . . 0.0 111.258 -176.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -79.61 9.78 4.65 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 178.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 22.2 tp 50.4 64.82 1.65 Allowed 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 125.846 1.659 . . . . 0.0 112.578 167.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 3.1 t -136.71 57.45 1.77 Allowed 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 169.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 36.8 pt -120.76 160.7 21.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 125.573 1.549 . . . . 0.0 108.994 169.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 56.99 -139.69 45.74 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 -173.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 3.3 m 70.43 -33.83 0.27 Allowed 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 115.815 1.783 . . . . 0.0 115.815 168.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? 67.13 -70.13 0.12 Allowed 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 126.676 1.99 . . . . 0.0 110.867 -175.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 66.8 tp -54.2 133.03 44.4 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 177.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 72.63 -58.76 0.59 Allowed 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 125.356 1.463 . . . . 0.0 110.698 -179.448 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.21 -32.62 74.16 Favored 'General case' 0 N--CA 1.445 -0.711 0 O-C-N 121.589 -0.695 . . . . 0.0 110.793 -170.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.08 -42.97 69.92 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-N 118.448 0.567 . . . . 0.0 109.964 170.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -64.92 -43.03 94.14 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 118.679 -0.677 . . . . 0.0 109.632 175.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 19.6 mm -56.78 -56.71 12.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 119.329 -0.949 . . . . 0.0 110.432 178.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 70.9 t -56.56 -48.84 79.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 124.209 1.004 . . . . 0.0 110.068 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 24.5 ttpp -56.96 -53.25 60.16 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 117.966 0.348 . . . . 0.0 110.787 179.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 62.8 mt -62.3 -46.2 89.82 Favored 'General case' 0 CA--C 1.531 0.22 0 O-C-N 122.261 -0.275 . . . . 0.0 110.453 -177.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 50.5 mtt -56.35 -52.08 65.91 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 117.815 0.28 . . . . 0.0 110.388 175.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -56.27 -53.55 55.96 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 122.815 0.446 . . . . 0.0 110.846 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -51.64 -50.46 60.28 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 123.3 0.64 . . . . 0.0 110.573 177.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 24.4 tp -61.96 -36.89 82.76 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 122.112 -0.367 . . . . 0.0 111.034 179.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -80.08 18.14 0.89 Allowed 'General case' 0 C--O 1.232 0.132 0 C-N-CA 124.336 1.054 . . . . 0.0 112.977 171.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 78.0 mtm180 69.54 -63.46 0.38 Allowed 'General case' 0 C--N 1.34 0.193 0 C-N-CA 127.499 2.32 . . . . 0.0 110.788 172.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -163.08 69.59 0.23 Allowed 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 125.71 1.604 . . . . 0.0 107.097 175.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 7.3 mptt 50.62 36.08 13.08 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.433 1.093 . . . . 0.0 111.917 -176.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -148.71 57.06 1.04 Allowed 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 118.859 0.754 . . . . 0.0 111.488 -170.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -158.19 -178.07 7.02 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 106.597 -1.631 . . . . 0.0 106.597 169.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -123.47 146.21 48.23 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 103.444 -2.799 . . . . 0.0 103.444 168.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 72.4 t -95.59 113.87 30.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 -175.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -86.54 158.42 19.53 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 120.2 1.364 . . . . 0.0 107.53 -175.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -41.42 -48.02 3.72 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.761 1.022 . . . . 0.0 113.761 -176.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -66.59 -33.45 75.7 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.035 -1.04 . . . . 0.0 111.237 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -68.39 -41.27 80.74 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 120.874 -1.141 . . . . 0.0 110.273 174.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -57.8 -45.34 86.23 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 124.018 0.927 . . . . 0.0 109.944 174.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 5.7 mm -60.44 -50.26 81.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 123.0 0.52 . . . . 0.0 110.274 175.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 28.6 m -56.78 -40.73 76.4 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.766 -0.584 . . . . 0.0 110.046 176.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -59.64 -42.99 94.02 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 124.809 1.244 . . . . 0.0 110.772 174.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.9 tt -56.15 -51.9 66.28 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 174.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.16 -50.68 33.18 Favored Glycine 0 C--N 1.336 0.551 0 C-N-CA 123.411 0.529 . . . . 0.0 112.904 175.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.66 -53.39 55.28 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.48 0.712 . . . . 0.0 109.548 -177.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 56.7 tp -53.35 -51.78 61.33 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 124.964 1.306 . . . . 0.0 110.263 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.74 -49.5 75.04 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.083 0.553 . . . . 0.0 110.762 176.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 49.8 ttp -59.69 -35.05 73.71 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 122.976 0.511 . . . . 0.0 112.03 177.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.4 mp -72.09 -43.91 66.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 C-N-CA 124.76 1.224 . . . . 0.0 110.251 178.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -53.52 -45.85 69.92 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 169.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 68.83 -71.37 0.12 Allowed 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.834 1.654 . . . . 0.0 113.124 168.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -54.67 -36.84 65.03 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.733 0.813 . . . . 0.0 110.575 -176.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.85 -46.21 51.13 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.547 1.139 . . . . 0.0 111.517 173.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -82.78 -53.07 6.18 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.671 0.788 . . . . 0.0 109.162 -176.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -58.85 -43.14 90.72 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.454 0.702 . . . . 0.0 111.488 -175.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 117.177 -1.902 . . . . 0.0 111.668 -176.428 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.3 ttm . . . . . 0 N--CA 1.474 0.745 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -27.34 109.55 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 127.162 2.185 . . . . 0.0 113.722 -174.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.8 p -173.45 162.57 3.34 Favored Pre-proline 0 N--CA 1.452 -0.345 0 C-N-CA 125.241 1.417 . . . . 0.0 107.214 -177.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -51.07 -44.09 44.4 Favored 'Trans proline' 0 N--CA 1.456 -0.715 0 C-N-CA 122.695 2.264 . . . . 0.0 111.334 169.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 89.0 mt -59.32 -53.91 52.79 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.688 0.795 . . . . 0.0 110.393 177.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -56.03 -43.5 77.88 Favored 'General case' 0 C--O 1.225 -0.199 0 CA-C-N 118.349 0.522 . . . . 0.0 111.287 177.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.76 -43.15 76.44 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 122.754 0.422 . . . . 0.0 110.816 172.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.14 -43.89 81.2 Favored 'General case' 0 CA--C 1.528 0.121 0 O-C-N 121.831 -0.543 . . . . 0.0 109.895 -177.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.0 mt -56.72 -46.81 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 172.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.14 -51.2 31.38 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 124.158 0.885 . . . . 0.0 111.46 174.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.3 tt -57.31 -56.07 26.6 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.414 0.686 . . . . 0.0 110.171 177.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.8 mt -53.87 -50.18 66.86 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 123.658 0.783 . . . . 0.0 111.194 -178.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.1 mm -53.65 -54.2 20.71 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.398 0 C-N-CA 124.397 1.079 . . . . 0.0 108.767 173.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.12 -57.28 9.09 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 123.872 0.749 . . . . 0.0 111.533 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.5 mm -57.11 -47.97 82.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-N 116.975 0.387 . . . . 0.0 110.458 -178.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -54.68 -50.33 68.49 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 122.404 1.097 . . . . 0.0 110.733 176.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -69.02 -16.44 63.71 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 124.848 1.259 . . . . 0.0 111.925 -170.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -48.13 -48.41 34.11 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 119.292 0.951 . . . . 0.0 109.283 169.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -78.61 -56.85 4.1 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.464 -175.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.6 m -57.14 -25.41 58.84 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -178.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.77 -46.96 93.16 Favored Glycine 0 CA--C 1.525 0.699 0 O-C-N 121.579 -0.701 . . . . 0.0 111.514 173.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -71.42 -50.7 29.25 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 175.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -83.45 64.09 7.67 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.07 53.3 3.01 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 123.609 0.623 . . . . 0.0 113.257 -172.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -89.57 -43.5 10.74 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 117.82 0.81 . . . . 0.0 109.679 171.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -168.74 160.89 10.87 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 105.895 -1.891 . . . . 0.0 105.895 -173.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 66.5 t-80 -71.36 69.12 0.55 Allowed 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 170.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.6 t -138.53 165.01 27.94 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 126.412 1.885 . . . . 0.0 106.898 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 75.5 mt -101.61 171.45 7.55 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 125.126 1.37 . . . . 0.0 107.398 167.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.7 p -146.33 169.95 17.79 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 105.607 -1.997 . . . . 0.0 105.607 169.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -52.63 -39.79 62.1 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.557 0.743 . . . . 0.0 112.134 -174.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -57.23 -52.29 65.9 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 121.187 0.518 . . . . 0.0 109.92 175.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -62.58 -41.03 98.69 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 122.999 0.52 . . . . 0.0 110.046 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -54.75 -52.33 62.89 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.27 1.028 . . . . 0.0 109.074 174.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 55.1 tttm -55.76 -48.01 76.0 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.748 0.819 . . . . 0.0 110.702 177.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -58.03 -48.75 79.14 Favored 'General case' 0 CA--C 1.53 0.175 0 O-C-N 121.325 -0.859 . . . . 0.0 110.773 176.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.7 tp -55.54 -54.52 43.01 Favored 'General case' 0 N--CA 1.452 -0.33 0 O-C-N 122.022 -0.424 . . . . 0.0 111.119 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 31.2 pt -60.43 -40.47 84.26 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 C-N-CA 119.673 -0.811 . . . . 0.0 110.744 -179.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -56.34 -44.32 79.91 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 118.593 0.633 . . . . 0.0 110.71 173.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.3 mmtm -63.5 -51.63 64.73 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 119.305 0.957 . . . . 0.0 111.95 177.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -53.71 -42.67 68.29 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.905 0.775 . . . . 0.0 110.231 175.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.1 tp -60.67 -46.57 89.84 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.245 0.618 . . . . 0.0 110.203 177.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 58.3 m -54.95 -47.73 74.1 Favored 'General case' 0 CA--C 1.527 0.08 0 C-N-CA 123.661 0.784 . . . . 0.0 109.651 176.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.0 mm -79.31 53.12 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 CA-C-O 121.315 0.579 . . . . 0.0 109.671 175.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 49.48 17.3 1.18 Allowed Glycine 0 CA--C 1.531 1.085 0 C-N-CA 127.355 2.407 . . . . 0.0 116.645 170.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 t -81.27 -2.04 47.38 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 119.823 1.811 . . . . 0.0 113.111 -169.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -24.03 -58.9 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 127.751 2.421 . . . . 0.0 114.622 -178.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -55.18 -38.67 68.64 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -172.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.98 -25.45 14.57 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-N 117.954 0.343 . . . . 0.0 110.828 175.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -62.66 -34.07 76.35 Favored 'General case' 0 N--CA 1.454 -0.269 0 O-C-N 121.253 -0.905 . . . . 0.0 111.884 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -49.23 -38.12 25.44 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.075 0.55 . . . . 0.0 110.699 168.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -80.04 -41.88 24.86 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 118.879 -0.582 . . . . 0.0 110.301 173.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.76 -42.31 93.94 Favored 'Isoleucine or valine' 0 C--N 1.343 0.292 0 C-N-CA 118.668 -1.213 . . . . 0.0 111.145 -175.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.1 p -59.11 -40.46 80.96 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 CA-C-N 118.926 0.784 . . . . 0.0 110.759 176.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -62.4 -48.82 78.02 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.067 -0.396 . . . . 0.0 110.259 177.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.31 -46.94 88.2 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 122.129 -0.357 . . . . 0.0 110.496 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 45.9 mtt -52.58 -56.07 17.86 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 122.843 0.457 . . . . 0.0 110.016 173.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -52.56 -52.68 53.84 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 122.801 0.44 . . . . 0.0 110.905 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -51.67 -48.15 63.53 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.255 1.022 . . . . 0.0 111.557 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 77.6 mt -72.22 -39.18 68.71 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 117.687 0.222 . . . . 0.0 111.558 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -66.75 -50.88 61.33 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 124.767 1.227 . . . . 0.0 110.71 -174.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 64.89 -68.4 0.11 Allowed 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 126.328 1.851 . . . . 0.0 111.997 178.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -156.63 5.63 0.17 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.957 1.303 . . . . 0.0 112.123 -178.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -66.28 -38.13 87.08 Favored 'General case' 0 C--N 1.342 0.263 0 CA-C-N 119.36 0.982 . . . . 0.0 109.902 -178.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 24.7 -64.62 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.363 1 C-N-CA 132.467 4.307 . . . . 0.0 116.026 167.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.406 ' NE2' ' H ' ' A' ' 66' ' ' GLN . 2.0 mp0 -39.04 -47.32 1.49 Allowed 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 125.816 1.647 . . . . 0.0 110.463 170.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -128.28 135.51 49.73 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 125.402 1.481 . . . . 0.0 107.173 170.033 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 59.4 t -120.82 121.8 66.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 103.75 -2.685 . . . . 0.0 103.75 168.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -92.22 151.89 20.12 Favored 'General case' 0 N--CA 1.457 -0.093 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -166.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -50.61 -41.77 55.18 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.286 0.634 . . . . 0.0 111.076 173.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.1 tp60 -56.96 -38.16 72.58 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.377 -0.827 . . . . 0.0 111.655 175.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -64.14 -42.14 96.91 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 177.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -58.8 -45.87 88.89 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 122.161 -0.337 . . . . 0.0 111.286 176.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.83 -47.25 89.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 119.33 -0.948 . . . . 0.0 110.911 179.039 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.8 p -62.16 -37.49 85.44 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 121.762 -0.586 . . . . 0.0 110.58 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -55.23 -53.6 53.96 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.563 1.145 . . . . 0.0 110.607 169.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.5 tp -51.37 -48.08 62.62 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.047 0.539 . . . . 0.0 109.932 175.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.83 -57.11 11.42 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.372 -0.691 . . . . 0.0 111.372 173.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.22 -47.43 72.16 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.175 0.99 . . . . 0.0 110.943 -178.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.4 mp -54.16 -56.77 15.0 Favored 'General case' 0 C--O 1.228 -0.068 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 175.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.01 -40.64 77.03 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 111.503 0.186 . . . . 0.0 111.503 -178.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 47.8 mtt -61.04 -49.44 77.37 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.233 0.613 . . . . 0.0 110.726 175.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 17.7 mm -54.14 -45.55 66.3 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 O-C-N 121.321 -0.862 . . . . 0.0 109.148 174.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -77.84 25.05 0.21 Allowed 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 175.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -51.61 -35.92 43.6 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 119.874 1.215 . . . . 0.0 110.903 171.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -46.07 -48.34 17.02 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.133 0.973 . . . . 0.0 111.854 170.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -78.36 -37.07 45.14 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.656 0.782 . . . . 0.0 110.236 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 53.1 tp -53.94 -48.36 70.31 Favored 'General case' 0 C--O 1.227 -0.129 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 175.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -62.09 -63.29 1.29 Allowed 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 170.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.189 0 CA-C-O 117.192 -1.893 . . . . 0.0 111.342 178.552 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 76.9 mtm . . . . . 0 N--CA 1.475 0.812 0 CA-C-O 120.575 0.226 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.74 -179.55 5.94 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 125.779 1.632 . . . . 0.0 106.702 178.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.63 119.0 9.04 Favored Pre-proline 0 CA--C 1.535 0.367 0 C-N-CA 124.428 1.091 . . . . 0.0 109.599 174.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_exo -43.98 -53.4 4.66 Favored 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 123.52 2.814 . . . . 0.0 113.828 -175.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 48.0 mt -63.26 -40.53 97.66 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.923 -0.485 . . . . 0.0 111.082 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -62.35 -43.05 99.73 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 118.378 0.535 . . . . 0.0 110.423 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.2 -40.68 90.91 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 122.921 0.488 . . . . 0.0 110.369 173.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.06 -49.27 75.2 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.5 mp -51.05 -51.98 19.53 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.33 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 170.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.75 -54.28 11.7 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 124.141 0.877 . . . . 0.0 111.666 178.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 62.6 tp -60.23 -57.0 14.7 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 122.253 -0.557 . . . . 0.0 110.477 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 8.0 tt -58.44 -50.66 72.91 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 122.971 0.508 . . . . 0.0 111.234 -173.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 4.6 tt -64.38 -39.38 85.35 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 C-N-CA 123.799 0.84 . . . . 0.0 109.327 178.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.91 -45.06 92.27 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 123.843 0.735 . . . . 0.0 111.776 174.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 92.6 mt -62.83 -58.11 9.03 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 175.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -58.33 -34.61 70.81 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 122.428 0.291 . . . . 0.0 111.544 -173.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -48.21 -48.51 34.89 Favored 'General case' 0 N--CA 1.457 -0.086 0 C-N-CA 125.479 1.511 . . . . 0.0 111.688 176.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -43.36 -56.78 3.36 Favored 'General case' 0 C--N 1.337 0.06 0 C-N-CA 124.11 0.964 . . . . 0.0 111.529 -168.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -84.63 -80.65 0.2 Allowed 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.078 173.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -52.47 -32.22 38.69 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 126.967 2.107 . . . . 0.0 115.019 -168.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.41 -63.47 1.57 Allowed Glycine 0 C--N 1.334 0.433 0 N-CA-C 110.149 -1.181 . . . . 0.0 110.149 -176.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -56.63 -42.52 78.98 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.383 0.673 . . . . 0.0 110.938 -177.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -74.85 -12.43 60.38 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 178.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.89 -71.91 0.9 Allowed Glycine 0 CA--C 1.526 0.721 0 C-N-CA 124.465 1.031 . . . . 0.0 111.296 177.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.6 p30 41.62 -108.08 0.09 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.379 1.872 . . . . 0.0 111.003 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -138.39 37.95 2.27 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 169.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 44.92 61.87 2.33 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 122.895 1.331 . . . . 0.0 111.695 -170.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 3.2 t -144.71 156.69 44.21 Favored 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 127.33 2.252 . . . . 0.0 105.82 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 5.3 mp -92.7 107.35 19.15 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 103.998 -2.593 . . . . 0.0 103.998 166.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 67.0 p -89.98 162.17 15.52 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 -179.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -42.78 -46.17 5.09 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -173.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -62.49 -62.12 1.97 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 122.993 0.517 . . . . 0.0 110.426 -178.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -65.38 -29.36 70.06 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 121.56 -0.712 . . . . 0.0 111.091 -175.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 9.3 tt -62.41 -48.02 81.55 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.413 0.685 . . . . 0.0 109.532 170.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -55.58 -46.3 77.27 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.95 -0.468 . . . . 0.0 110.107 175.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -54.78 -52.46 62.55 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.619 -0.675 . . . . 0.0 110.154 174.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.2 tt -50.56 -61.42 2.2 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 118.859 -0.591 . . . . 0.0 110.22 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 26.4 pt -58.65 -41.22 81.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-N 118.669 0.668 . . . . 0.0 110.749 -174.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -55.93 -54.52 43.76 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.581 0.628 . . . . 0.0 111.22 175.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -60.57 -53.47 57.12 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.652 0.66 . . . . 0.0 110.585 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -53.64 -32.1 50.02 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.73 1.612 . . . . 0.0 111.77 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 58.2 mt -76.05 -62.07 1.72 Allowed 'General case' 0 CA--C 1.532 0.257 0 O-C-N 121.606 -0.684 . . . . 0.0 110.021 170.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 38.2 p -58.68 -26.53 63.94 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 -168.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 10.3 tp -52.45 -33.95 18.31 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-N 119.34 0.973 . . . . 0.0 111.149 171.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.56 23.37 76.64 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 115.023 0.769 . . . . 0.0 115.023 168.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.4 m -63.29 -33.94 76.6 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.565 1.182 . . . . 0.0 110.367 169.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 52.3 mttp 70.69 -68.69 0.2 Allowed 'General case' 0 C--O 1.231 0.109 0 C-N-CA 127.024 2.13 . . . . 0.0 108.925 -176.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 pp -56.44 143.38 35.09 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 171.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 64.12 -54.03 0.25 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.891 1.676 . . . . 0.0 113.347 -170.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -65.82 -41.65 91.58 Favored 'General case' 0 N--CA 1.456 -0.168 0 O-C-N 120.555 -1.341 . . . . 0.0 113.693 -173.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.36 -46.4 66.13 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 173.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -59.23 -44.94 92.31 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 118.389 -0.815 . . . . 0.0 110.422 174.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 21.9 mm -60.07 -55.47 23.9 Favored 'Isoleucine or valine' 0 C--N 1.342 0.282 0 CA-C-N 119.836 1.198 . . . . 0.0 110.047 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 28.0 m -62.9 -41.16 91.62 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.699 -175.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -58.31 -49.77 76.0 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 118.137 0.426 . . . . 0.0 110.136 175.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 22.7 tp -61.25 -48.64 80.51 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 122.843 0.457 . . . . 0.0 110.261 -176.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 58.5 mtt -62.84 -41.61 99.42 Favored 'General case' 0 N--CA 1.453 -0.283 0 O-C-N 122.147 -0.346 . . . . 0.0 110.889 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -59.16 -50.37 74.28 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 118.663 0.665 . . . . 0.0 110.526 174.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -53.07 -45.84 68.31 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.886 0.874 . . . . 0.0 111.295 176.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.0 tt -59.48 -58.38 8.87 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 174.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -56.61 -43.87 80.59 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 125.493 1.517 . . . . 0.0 111.847 -171.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 72.42 -58.5 0.59 Allowed 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 125.959 1.704 . . . . 0.0 111.178 -177.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -78.14 20.46 0.38 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.878 0.871 . . . . 0.0 112.517 -177.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 93.2 mttt 67.68 -59.98 0.4 Allowed 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 126.436 1.894 . . . . 0.0 112.938 -173.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -121.53 136.22 54.97 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 126.385 1.874 . . . . 0.0 107.856 170.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -164.43 174.65 10.76 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 126.787 2.035 . . . . 0.0 105.765 -176.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -92.06 94.09 9.07 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 177.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 78.1 t -89.83 103.06 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 N-CA-C 105.277 -2.12 . . . . 0.0 105.277 -171.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -92.85 149.31 21.35 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 123.523 0.729 . . . . 0.0 110.156 -168.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -54.54 -38.69 66.88 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -173.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -45.14 84.18 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.491 -0.756 . . . . 0.0 109.815 175.357 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -66.12 -43.24 87.76 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 121.842 -0.536 . . . . 0.0 109.6 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -50.86 -52.47 41.35 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.078 0.551 . . . . 0.0 110.254 174.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 17.1 mm -61.0 -50.62 79.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 123.248 0.619 . . . . 0.0 111.522 178.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 27.1 m -56.6 -45.44 81.41 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 121.426 0.631 . . . . 0.0 109.429 -179.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -61.57 -41.39 97.33 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.43 1.092 . . . . 0.0 110.951 176.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 3.6 tt -54.12 -53.2 56.52 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 174.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.56 -54.17 31.67 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 177.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.53 -49.49 74.63 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 117.712 0.756 . . . . 0.0 111.383 -179.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 58.9 tp -58.26 -48.33 80.79 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.272 1.029 . . . . 0.0 109.942 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.84 -38.73 91.92 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.703 0.401 . . . . 0.0 111.336 178.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 16.7 tmm? -59.52 -48.26 82.34 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 121.747 -0.595 . . . . 0.0 109.573 173.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 88.3 mt -56.21 -42.7 74.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-N 118.664 0.665 . . . . 0.0 110.018 173.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -58.67 -7.28 0.92 Allowed 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.067 0.765 . . . . 0.0 113.067 175.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -50.4 -35.69 29.43 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 120.64 1.564 . . . . 0.0 110.122 167.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -57.76 -40.11 78.98 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 122.212 -0.305 . . . . 0.0 111.72 172.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.41 -43.94 68.97 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.038 0.535 . . . . 0.0 110.55 177.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 7.1 mp -54.67 -49.06 71.54 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 174.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.24 -45.66 93.61 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.732 1.213 . . . . 0.0 110.248 178.259 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.108 0 CA-C-O 117.21 -1.884 . . . . 0.0 111.502 174.74 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.1 ttp . . . . . 0 N--CA 1.474 0.742 0 N-CA-C 110.655 -0.128 . . . . 0.0 110.655 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.95 169.42 15.93 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 174.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.1 m -56.07 138.51 72.71 Favored Pre-proline 0 CA--C 1.535 0.374 0 CA-C-O 118.271 -0.871 . . . . 0.0 109.313 173.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -38.05 -53.32 1.63 Allowed 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 124.593 3.529 . . . . 0.0 115.439 -170.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -57.24 -50.49 72.71 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 117.992 0.36 . . . . 0.0 111.475 -179.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -68.28 -33.2 73.91 Favored 'General case' 0 CA--C 1.517 -0.308 0 O-C-N 121.911 -0.493 . . . . 0.0 110.357 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -65.29 -40.52 93.95 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 117.817 0.28 . . . . 0.0 110.76 177.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.21 -49.19 17.81 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 124.167 0.987 . . . . 0.0 109.931 -176.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.1 mt -52.18 -48.18 43.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 169.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.07 -49.81 54.09 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 124.647 1.118 . . . . 0.0 111.176 176.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 64.7 tp -55.43 -54.08 48.2 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 117.765 0.782 . . . . 0.0 110.48 175.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 tp -52.67 -55.89 19.34 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 121.613 0.721 . . . . 0.0 110.596 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 67.2 mt -53.55 -47.1 60.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 C-N-CA 123.719 0.808 . . . . 0.0 109.353 178.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.56 -56.66 23.43 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 124.237 0.922 . . . . 0.0 111.593 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.4 pt -62.18 -35.49 69.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 O-C-N 121.805 -0.821 . . . . 0.0 111.012 -177.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -62.04 -55.42 29.32 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.304 0.502 . . . . 0.0 109.872 172.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -52.95 -32.26 44.99 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 125.969 1.707 . . . . 0.0 111.675 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -50.77 -46.92 59.69 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.485 0.584 . . . . 0.0 110.484 175.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -80.25 -53.71 6.4 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 123.715 0.806 . . . . 0.0 109.595 175.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.2 m -74.96 61.85 1.08 Allowed 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 124.655 1.182 . . . . 0.0 110.015 175.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -170.45 -58.58 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 107.792 -2.123 . . . . 0.0 107.792 -178.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.4 pttt -68.45 -36.07 78.48 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 117.01 0.405 . . . . 0.0 111.099 174.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -127.32 -60.22 1.2 Allowed 'General case' 0 C--N 1.341 0.215 0 C-N-CA 123.277 0.631 . . . . 0.0 111.189 -177.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.45 147.26 40.31 Favored Glycine 0 CA--C 1.531 1.072 0 N-CA-C 110.07 -1.212 . . . . 0.0 110.07 -175.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -78.46 38.31 0.3 Allowed 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.34 -1.094 . . . . 0.0 113.601 -169.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp 68.15 -49.17 0.54 Allowed 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 126.086 1.755 . . . . 0.0 112.074 -169.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 58.7 m80 -79.75 -18.26 51.54 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 125.499 1.52 . . . . 0.0 112.496 -173.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.4 p -141.13 168.6 19.4 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 119.18 0.9 . . . . 0.0 109.225 178.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.3 tt -131.46 118.76 20.64 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 127.032 2.133 . . . . 0.0 106.486 175.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.8 m -93.74 158.96 15.42 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.354 0.661 . . . . 0.0 111.963 -171.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -44.79 -47.31 10.9 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.402 1.081 . . . . 0.0 112.895 -170.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -51.61 -44.41 62.85 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.197 0.599 . . . . 0.0 111.278 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -64.12 -38.87 92.61 Favored 'General case' 0 N--CA 1.453 -0.3 0 O-C-N 122.028 -0.42 . . . . 0.0 110.71 177.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.5 tp -64.42 -46.54 82.79 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 179.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -55.92 -52.93 62.37 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.154 0.582 . . . . 0.0 109.861 173.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 67.5 tt0 -51.72 -46.05 63.81 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.009 0.524 . . . . 0.0 110.492 176.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.5 tp -56.99 -59.13 5.51 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 118.833 -0.603 . . . . 0.0 110.288 178.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 46.5 pt -58.85 -36.09 59.5 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 119.16 0.891 . . . . 0.0 111.606 -176.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -61.61 -63.01 1.41 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.062 0.545 . . . . 0.0 110.666 174.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -58.48 -41.63 85.72 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.187 0.595 . . . . 0.0 111.375 -177.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -70.76 -14.7 62.53 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.123 0.969 . . . . 0.0 111.371 176.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 43.6 mt 58.4 41.16 23.38 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 125.734 1.613 . . . . 0.0 111.455 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 49.3 p -84.08 50.92 1.94 Allowed 'General case' 0 CA--C 1.53 0.195 0 O-C-N 121.573 -0.704 . . . . 0.0 109.514 178.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.7 pt -81.47 61.07 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 -177.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.82 -52.15 3.19 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -172.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.9 p -19.78 -77.21 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 128.948 2.899 . . . . 0.0 113.103 170.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -81.89 66.37 7.43 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.293 1.037 . . . . 0.0 108.243 -178.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.3 tp -48.39 -44.96 35.29 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.434 1.494 . . . . 0.0 111.019 -172.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -43.08 -64.32 0.65 Allowed 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.932 0.893 . . . . 0.0 111.178 173.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -76.25 -31.85 58.54 Favored 'General case' 0 N--CA 1.45 -0.436 0 O-C-N 121.644 -0.66 . . . . 0.0 110.818 -170.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.02 -49.6 63.04 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 169.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -63.55 -39.69 95.05 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 117.766 -1.111 . . . . 0.0 111.499 175.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 81.6 mt -55.88 -52.55 47.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-N 120.803 1.638 . . . . 0.0 109.571 176.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 76.6 t -59.69 -47.28 91.75 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 O-C-N 122.28 -0.262 . . . . 0.0 110.553 179.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -55.53 -47.91 75.52 Favored 'General case' 0 N--CA 1.455 -0.175 0 O-C-N 122.26 -0.275 . . . . 0.0 110.511 179.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 56.6 mt -61.25 -45.17 95.61 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 122.976 0.51 . . . . 0.0 110.313 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 41.5 ttp -56.79 -50.05 73.48 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.147 0.431 . . . . 0.0 110.683 176.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -57.71 -50.79 72.04 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.156 0.582 . . . . 0.0 110.6 178.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -55.31 -45.24 76.32 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.799 1.24 . . . . 0.0 110.671 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.4 tt -57.78 -58.22 9.33 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 173.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -78.94 58.8 2.47 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -176.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 73.7 mtt85 -68.66 -30.95 69.75 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.317 -0.864 . . . . 0.0 108.842 166.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -52.03 -55.28 21.58 Favored 'General case' 0 C--N 1.34 0.162 0 C-N-CA 124.342 1.057 . . . . 0.0 112.332 -175.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 46.0 mttm -100.46 -55.25 2.65 Favored 'General case' 0 C--O 1.232 0.133 0 C-N-CA 122.773 0.429 . . . . 0.0 109.994 -177.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.8 t70 65.15 -64.05 0.18 Allowed 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 128.053 2.541 . . . . 0.0 112.625 175.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -47.36 -37.24 10.82 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 126.761 2.024 . . . . 0.0 111.514 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -142.93 142.33 31.67 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 169.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 57.0 t -93.57 135.71 27.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 N-CA-C 105.566 -2.013 . . . . 0.0 105.566 175.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -90.99 141.24 29.06 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 -179.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -43.8 -45.94 7.54 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.25 1.02 . . . . 0.0 112.277 178.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -58.61 -39.33 80.13 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.349 -0.845 . . . . 0.0 111.279 177.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -68.05 -42.48 80.47 Favored 'General case' 0 C--O 1.224 -0.283 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 176.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -55.37 -50.99 68.25 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 118.335 0.516 . . . . 0.0 110.033 175.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 24.7 mm -61.04 -52.79 57.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 O-C-N 121.875 -0.516 . . . . 0.0 111.402 177.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.9 m -62.87 -33.62 75.66 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.051 -1.03 . . . . 0.0 110.524 -177.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -60.99 -45.86 93.12 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.785 0.834 . . . . 0.0 110.555 171.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.7 tt -51.43 -50.64 59.33 Favored 'General case' 0 C--N 1.342 0.256 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 173.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -46.05 -65.69 1.95 Allowed Glycine 0 CA--C 1.53 1.027 0 C-N-CA 123.695 0.664 . . . . 0.0 112.375 172.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.07 -46.25 71.96 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.545 1.138 . . . . 0.0 112.017 -175.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.9 tp -58.97 -55.82 30.25 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 177.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.63 -37.77 71.19 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 122.904 0.481 . . . . 0.0 112.024 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 80.3 mtp -56.87 -15.25 4.44 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 178.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 31.1 mm -58.16 -31.7 42.56 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 CA-C-N 119.535 1.061 . . . . 0.0 110.219 169.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 51.05 51.99 15.91 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 125.624 1.569 . . . . 0.0 112.03 175.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -41.86 107.67 0.08 Allowed 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.579 1.552 . . . . 0.0 111.485 175.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 56.3 tt0 58.87 40.67 22.45 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.644 0.778 . . . . 0.0 110.553 177.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 51.01 54.04 11.97 Favored 'General case' 0 C--N 1.339 0.151 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -171.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 78.8 mt 45.45 49.6 10.52 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.831 1.252 . . . . 0.0 110.848 -172.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 62.4 pttt 43.27 38.44 1.64 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.663 1.585 . . . . 0.0 113.645 -174.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.144 0 CA-C-O 117.271 -1.849 . . . . 0.0 112.9 173.832 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.474 0.752 0 N-CA-C 110.695 -0.113 . . . . 0.0 110.695 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -169.81 177.14 4.55 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 106.609 -1.626 . . . . 0.0 106.609 -178.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 27.6 m -159.21 152.53 18.72 Favored Pre-proline 0 CA--C 1.532 0.251 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 172.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_exo -46.37 -53.69 5.67 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 123.563 2.842 . . . . 0.0 113.601 -176.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.8 -45.21 82.35 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 122.142 -0.349 . . . . 0.0 111.446 178.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -62.88 -46.99 85.25 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.205 0.602 . . . . 0.0 110.716 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -57.14 -45.1 83.84 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 174.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.81 -54.36 19.68 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 122.216 -0.303 . . . . 0.0 110.708 -172.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 11.9 tt -58.55 -45.82 90.17 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 177.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.51 -53.89 22.99 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 175.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -56.59 -62.95 1.38 Allowed 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 117.218 0.509 . . . . 0.0 110.751 178.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 pp -62.15 -39.44 92.62 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 119.531 1.059 . . . . 0.0 112.043 -170.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 25.7 mt -65.42 -43.86 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-O 118.986 -0.531 . . . . 0.0 109.652 175.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.99 -53.69 40.55 Favored Glycine 0 CA--C 1.53 1.0 0 CA-C-N 119.279 0.945 . . . . 0.0 111.174 176.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 28.6 mm -54.38 -38.33 40.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 124.192 0.997 . . . . 0.0 110.825 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -66.05 -63.31 1.11 Allowed 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.666 0.745 . . . . 0.0 111.587 171.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -63.52 -22.01 66.65 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 124.869 1.268 . . . . 0.0 112.512 -169.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -60.8 -36.98 80.42 Favored 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 119.804 -0.758 . . . . 0.0 109.662 176.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -81.74 -67.63 0.76 Allowed 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 168.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 49.2 m -77.55 58.84 1.82 Allowed 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.821 2.048 . . . . 0.0 111.838 -168.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -177.94 -65.26 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.451 0 N-CA-C 108.207 -1.957 . . . . 0.0 108.207 -172.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -64.84 -38.06 89.71 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 176.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -74.39 67.13 1.41 Allowed 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 118.143 0.429 . . . . 0.0 110.062 174.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.75 48.66 74.82 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 124.715 1.15 . . . . 0.0 113.306 170.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 21.4 t70 71.76 -55.22 0.67 Allowed 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 126.56 1.944 . . . . 0.0 113.172 175.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -3.99 91.43 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 128.15 2.58 . . . . 0.0 113.899 177.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -76.43 50.23 0.64 Allowed 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 121.664 0.745 . . . . 0.0 110.233 174.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 5.3 t -147.78 145.72 28.9 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 126.27 1.828 . . . . 0.0 107.888 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 59.0 mt -93.24 97.3 10.54 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 105.328 -2.101 . . . . 0.0 105.328 168.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.3 m -92.62 171.82 8.76 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 176.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -43.71 -42.45 5.39 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.22 1.008 . . . . 0.0 111.702 178.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -53.91 -59.8 4.16 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.816 0.846 . . . . 0.0 111.439 173.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 30.1 mp0 -58.48 -42.81 88.39 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.695 -0.628 . . . . 0.0 109.816 -178.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 76.7 mt -58.19 -43.42 87.56 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 119.489 -0.291 . . . . 0.0 110.774 175.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -53.86 -55.01 30.65 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 174.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -56.2 -44.74 79.75 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 117.868 0.304 . . . . 0.0 111.785 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 41.0 tp -56.18 -63.89 1.04 Allowed 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 119.487 -0.292 . . . . 0.0 110.494 175.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 2.3 pp -62.31 -37.92 79.84 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-N 118.572 0.624 . . . . 0.0 110.965 -172.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -50.46 -49.98 53.64 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 124.272 1.029 . . . . 0.0 109.995 170.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -69.29 -43.05 74.62 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 117.871 0.305 . . . . 0.0 111.814 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -60.65 -36.38 78.54 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 118.639 0.654 . . . . 0.0 112.09 177.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 77.0 mt 58.07 -99.2 0.09 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.705 1.202 . . . . 0.0 111.156 -172.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.6 m -78.77 55.23 1.67 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.767 1.227 . . . . 0.0 112.485 -168.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 28.1 pt -43.62 -46.24 1.78 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 124.772 1.229 . . . . 0.0 112.102 -178.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -49.73 -36.59 25.99 Favored Glycine 0 CA--C 1.529 0.924 0 C-N-CA 124.827 1.203 . . . . 0.0 113.314 -178.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 99.9 p -70.31 -31.12 68.3 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 117.881 0.841 . . . . 0.0 111.551 -177.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -85.48 49.76 1.82 Allowed 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.768 -0.583 . . . . 0.0 111.337 -168.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 1.9 mm? 24.59 -102.82 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 127.96 2.504 . . . . 0.0 113.113 -178.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.9 mm100 -46.74 -42.38 16.7 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 124.359 1.064 . . . . 0.0 112.003 -177.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -62.11 -25.48 67.75 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 118.59 -0.719 . . . . 0.0 112.5 -175.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.02 -48.31 70.6 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 169.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -66.87 -44.64 80.4 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 118.504 -0.76 . . . . 0.0 110.849 176.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 42.6 mm -60.95 -51.77 69.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-N 119.576 1.08 . . . . 0.0 109.385 -175.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 96.6 t -60.92 -49.01 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 C-N-CA 123.396 0.678 . . . . 0.0 109.478 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -52.78 -54.16 38.0 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 118.846 0.748 . . . . 0.0 110.657 177.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 46.5 mt -57.67 -55.22 37.66 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 122.936 0.494 . . . . 0.0 110.453 -177.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 34.9 ttp -57.9 -46.04 85.53 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 121.154 0.502 . . . . 0.0 110.58 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -56.53 -56.96 14.79 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 123.383 0.673 . . . . 0.0 110.434 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -62.76 -42.3 99.62 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.982 0.81 . . . . 0.0 110.914 -177.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 64.4 tp -51.57 -46.12 63.35 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 123.912 0.885 . . . . 0.0 110.255 177.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -72.22 -62.57 1.39 Allowed 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 121.235 0.541 . . . . 0.0 111.186 176.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 50.9 tpt85 -53.72 -23.33 11.29 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 126.359 1.864 . . . . 0.0 112.54 -172.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -32.18 -45.59 0.11 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.608 1.563 . . . . 0.0 112.266 168.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -144.38 -166.98 2.51 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 168.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -74.89 58.93 0.87 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.986 1.315 . . . . 0.0 110.308 174.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -94.99 178.08 5.68 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-O 122.821 1.296 . . . . 0.0 110.277 -174.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -140.0 143.34 36.41 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 103.798 -2.668 . . . . 0.0 103.798 168.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 46.7 t -93.02 117.61 36.82 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.084 0 N-CA-C 106.408 -1.701 . . . . 0.0 106.408 -178.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -87.79 157.31 19.06 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.045 -1.034 . . . . 0.0 108.283 -170.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -40.4 -51.58 2.82 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 176.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -65.37 -28.37 69.23 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 120.927 -1.108 . . . . 0.0 111.987 179.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -69.68 -38.78 77.17 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 118.83 0.741 . . . . 0.0 110.2 171.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -59.03 -48.79 80.31 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.323 0.965 . . . . 0.0 109.439 174.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 1.4 mp -60.87 -54.04 40.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 O-C-N 121.84 -0.538 . . . . 0.0 111.619 177.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 31.7 p -65.37 -30.0 70.78 Favored 'General case' 0 CA--C 1.533 0.327 0 O-C-N 120.313 -1.492 . . . . 0.0 110.913 -179.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -61.61 -39.66 92.02 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.679 0.672 . . . . 0.0 110.222 169.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 3.6 tt -54.39 -50.52 67.35 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 171.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -46.34 -54.94 8.15 Favored Glycine 0 CA--C 1.531 1.073 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.692 170.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.61 -48.99 73.99 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.294 1.038 . . . . 0.0 111.402 -178.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 94.1 mt -54.54 -45.61 73.45 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 118.508 0.594 . . . . 0.0 111.553 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.92 -47.59 79.95 Favored 'General case' 0 C--O 1.226 -0.163 0 O-C-N 121.879 -0.513 . . . . 0.0 111.336 171.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.62 -40.42 83.28 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 118.806 0.73 . . . . 0.0 112.158 -177.247 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 12.7 pt -80.57 0.88 3.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-N 118.643 0.656 . . . . 0.0 112.454 174.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 70.47 52.09 0.34 Allowed 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 125.093 1.357 . . . . 0.0 113.277 171.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -50.67 100.93 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.136 0.974 . . . . 0.0 109.226 168.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 46.42 43.53 12.01 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 125.109 1.364 . . . . 0.0 112.034 -171.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 51.86 47.57 24.52 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.393 0.677 . . . . 0.0 111.16 -178.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 10.2 mp 61.68 49.45 4.96 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.437 1.095 . . . . 0.0 109.113 -171.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 26.2 mmmt 71.86 -49.73 0.69 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.498 1.519 . . . . 0.0 113.092 177.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.287 0 CA-C-O 117.254 -1.859 . . . . 0.0 111.123 -178.302 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.7 mmm . . . . . 0 N--CA 1.474 0.727 0 CA-C-O 119.902 -0.094 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -163.73 167.78 20.57 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.518 0.727 . . . . 0.0 109.987 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 p -67.19 161.05 67.23 Favored Pre-proline 0 CA--C 1.532 0.279 0 C-N-CA 124.462 1.105 . . . . 0.0 111.147 178.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -56.8 -38.68 95.23 Favored 'Trans proline' 0 N--CA 1.455 -0.765 0 C-N-CA 122.035 1.823 . . . . 0.0 109.733 168.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.7 tp -55.65 -57.64 11.15 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 123.856 0.863 . . . . 0.0 110.411 173.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -55.59 -44.13 76.68 Favored 'General case' 0 C--O 1.226 -0.142 0 O-C-N 122.011 -0.431 . . . . 0.0 110.967 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.53 -43.12 68.11 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 122.535 0.334 . . . . 0.0 110.914 173.196 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.04 -43.87 86.26 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.308 0.504 . . . . 0.0 110.036 -178.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 83.2 mt -55.83 -53.66 35.22 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 173.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.41 -51.93 35.0 Favored Glycine 0 CA--C 1.528 0.88 0 C-N-CA 124.722 1.153 . . . . 0.0 111.359 178.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -53.39 -58.11 8.27 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.789 0.836 . . . . 0.0 109.089 176.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.1 tp -56.05 -55.28 34.75 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.582 0.353 . . . . 0.0 111.455 -176.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 pp -65.17 -34.74 72.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-O 118.94 -0.552 . . . . 0.0 110.558 -176.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.56 -53.32 47.0 Favored Glycine 0 CA--C 1.529 0.908 0 N-CA-C 110.62 -0.992 . . . . 0.0 110.62 172.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.4 mp -53.55 -47.86 59.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 O-C-N 122.297 -0.531 . . . . 0.0 109.747 174.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -61.56 -51.97 66.37 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.753 0.706 . . . . 0.0 111.1 -177.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -44.1 -51.67 7.8 Favored 'General case' 0 CA--C 1.528 0.096 0 C-N-CA 125.181 1.393 . . . . 0.0 110.075 172.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -66.46 -57.98 6.22 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -174.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -56.84 -40.28 75.77 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.1 0.96 . . . . 0.0 111.232 -173.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 74.5 m -49.78 -23.13 1.67 Allowed 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 114.325 1.231 . . . . 0.0 114.325 173.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -26.5 -53.57 0.07 OUTLIER Glycine 0 CA--C 1.535 1.307 0 C-N-CA 126.751 2.119 . . . . 0.0 116.426 -172.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -59.34 -37.97 79.19 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 117.998 0.899 . . . . 0.0 111.855 -177.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -81.99 -41.62 20.49 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.245 1.018 . . . . 0.0 109.567 173.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.98 -84.45 0.11 Allowed Glycine 0 CA--C 1.525 0.692 0 C-N-CA 125.23 1.395 . . . . 0.0 112.576 169.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -66.41 -67.93 0.41 Allowed 'General case' 0 N--CA 1.457 -0.092 0 C-N-CA 123.484 0.713 . . . . 0.0 110.002 -170.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -80.12 65.24 5.2 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 176.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -52.71 93.77 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 126.745 2.018 . . . . 0.0 112.024 -175.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.9 p -138.51 168.29 20.09 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 126.182 1.793 . . . . 0.0 107.078 -178.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 46.5 tp -93.19 83.04 4.57 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 105.873 -1.899 . . . . 0.0 105.873 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.7 t -94.4 171.65 8.68 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 122.007 0.908 . . . . 0.0 110.629 -177.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -52.67 -35.76 55.8 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.569 1.147 . . . . 0.0 110.66 178.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.3 mtmt -55.16 -53.86 50.65 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.113 0.565 . . . . 0.0 110.958 172.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.7 mp0 -58.74 -48.42 81.23 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 178.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 59.2 mt -56.17 -49.69 73.31 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.481 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -54.97 -52.62 62.51 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.208 0.603 . . . . 0.0 109.993 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -58.87 -39.51 81.59 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.864 177.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.1 tp -63.49 -57.59 9.73 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 121.636 -0.665 . . . . 0.0 110.101 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.2 pt -56.46 -46.11 82.11 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 118.156 0.435 . . . . 0.0 110.346 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -50.33 -56.34 11.7 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.978 0.911 . . . . 0.0 110.486 175.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -75.4 -38.86 59.67 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -169.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -65.6 -35.58 81.24 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.516 1.053 . . . . 0.0 110.148 173.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 45.5 tp 65.93 -72.79 0.07 Allowed 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 126.038 1.735 . . . . 0.0 113.261 169.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 70.1 p -81.04 62.9 5.2 Favored 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 121.346 -0.846 . . . . 0.0 110.678 -169.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -51.78 -39.42 24.49 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 C-N-CA 123.714 0.805 . . . . 0.0 111.058 176.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -56.55 -30.14 58.56 Favored Glycine 0 CA--C 1.53 0.997 0 C-N-CA 124.159 0.885 . . . . 0.0 112.858 177.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.2 m -90.7 -49.44 6.47 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 117.71 0.755 . . . . 0.0 109.21 176.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -80.36 61.93 4.31 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 123.863 0.865 . . . . 0.0 110.011 -176.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -49.43 -48.19 47.56 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.275 0.63 . . . . 0.0 110.814 -178.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -40.59 -58.01 1.71 Allowed 'General case' 0 N--CA 1.457 -0.102 0 C-N-CA 124.696 1.198 . . . . 0.0 111.043 170.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -74.73 -31.62 61.88 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 119.487 -0.885 . . . . 0.0 111.01 -175.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.0 -45.04 64.36 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 119.308 0.958 . . . . 0.0 109.249 170.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -63.56 -49.48 73.26 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 117.905 -1.045 . . . . 0.0 111.923 173.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.7 pt -61.13 -46.43 96.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 117.188 -1.805 . . . . 0.0 110.487 -176.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 38.2 t -51.69 -53.52 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 C-N-CA 125.528 1.531 . . . . 0.0 109.751 173.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -55.09 -48.76 73.12 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 118.742 0.701 . . . . 0.0 110.661 -178.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 62.2 mt -63.1 -52.55 62.19 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 117.828 0.286 . . . . 0.0 110.637 -178.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 70.3 mtp -57.31 -46.97 82.68 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.487 0.715 . . . . 0.0 110.179 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -61.2 -49.5 76.92 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.819 1.247 . . . . 0.0 110.793 178.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -53.05 -54.37 36.41 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 118.397 0.544 . . . . 0.0 110.326 175.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 73.8 mt -55.65 -47.59 76.41 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 122.244 0.217 . . . . 0.0 110.679 178.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -62.78 -44.26 96.64 Favored 'General case' 0 C--O 1.224 -0.257 0 C-N-CA 123.308 0.643 . . . . 0.0 112.354 -178.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -72.55 -30.5 64.49 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 122.649 0.38 . . . . 0.0 110.018 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -64.83 -61.53 2.12 Favored 'General case' 0 N--CA 1.458 -0.069 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 173.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -82.66 64.44 7.29 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 175.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -57.06 66.59 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 127.292 2.237 . . . . 0.0 115.658 -167.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -148.05 -92.45 0.08 Allowed 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 126.574 1.949 . . . . 0.0 107.078 175.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -146.78 160.04 42.75 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 127.422 2.289 . . . . 0.0 106.022 173.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 96.0 t -93.91 133.16 35.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 172.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -90.28 153.12 20.7 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 -175.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -44.23 -50.3 8.89 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -59.66 -38.16 80.71 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 121.61 -0.681 . . . . 0.0 110.249 -178.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -67.35 -41.04 85.83 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -59.06 -43.5 91.74 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 176.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.3 mp -59.88 -47.35 91.86 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 O-C-N 121.915 -0.49 . . . . 0.0 111.408 174.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.3 p -61.75 -37.46 84.33 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 120.603 -1.31 . . . . 0.0 111.115 177.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -59.66 -44.0 93.74 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.124 0.42 . . . . 0.0 110.522 171.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 tt -53.06 -51.91 60.23 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 176.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -51.8 -56.57 15.47 Favored Glycine 0 CA--C 1.526 0.755 0 CA-C-O 119.752 -0.471 . . . . 0.0 112.357 173.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.47 -49.94 66.38 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.044 0.937 . . . . 0.0 111.553 -176.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.1 tp -64.31 -55.77 19.07 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 121.891 0.853 . . . . 0.0 109.74 177.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.92 -33.83 76.17 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 118.872 -0.585 . . . . 0.0 112.239 -169.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 22.4 ptp -64.02 -45.89 86.9 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 119.654 1.116 . . . . 0.0 111.398 -178.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 6.0 tp -64.23 -47.98 87.53 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 176.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -50.97 -48.31 61.12 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.688 1.195 . . . . 0.0 110.979 179.042 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.68 63.15 1.11 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.424 1.489 . . . . 0.0 109.252 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 53.44 33.58 16.28 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.419 1.088 . . . . 0.0 112.951 173.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 50.84 32.1 6.83 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.56 0.618 . . . . 0.0 112.365 -173.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 79.7 mt 50.69 42.76 27.65 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.305 1.442 . . . . 0.0 111.832 -170.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm -133.31 43.97 2.86 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.858 1.263 . . . . 0.0 108.364 170.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.15 0 CA-C-O 117.971 -1.46 . . . . 0.0 111.078 -176.013 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 90.1 mtp . . . . . 0 N--CA 1.475 0.814 0 CA-C-O 120.47 0.176 . . . . 0.0 110.593 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.6 62.8 1.48 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.812 0.845 . . . . 0.0 110.255 176.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 33.8 p 26.99 69.41 0.47 Allowed Pre-proline 0 CA--C 1.542 0.667 0 C-N-CA 127.444 2.298 . . . . 0.0 115.319 174.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -47.84 -42.93 30.43 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.641 2.894 . . . . 0.0 112.819 175.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 86.3 mt -52.31 -50.57 61.95 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 122.789 0.436 . . . . 0.0 110.213 173.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -65.29 -36.88 85.42 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 118.914 -0.565 . . . . 0.0 111.257 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -55.63 -45.72 77.53 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.745 0.702 . . . . 0.0 109.723 171.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.97 -51.14 70.95 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 122.214 -0.304 . . . . 0.0 110.825 178.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 39.8 mm -50.87 -54.03 11.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 175.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.72 -55.39 11.29 Favored Glycine 0 CA--C 1.523 0.569 0 C-N-CA 126.066 1.794 . . . . 0.0 111.491 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 66.5 mt -53.35 -54.63 33.8 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 117.043 0.422 . . . . 0.0 109.979 176.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 44.9 mt -57.88 -52.64 64.65 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 119.444 -0.313 . . . . 0.0 111.758 -175.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 21.5 pt -64.8 -43.19 96.44 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.218 0 CA-C-N 118.18 0.445 . . . . 0.0 110.441 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.59 -56.1 26.39 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 110.581 -1.008 . . . . 0.0 110.581 178.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 81.3 mt -55.19 -47.66 77.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 C-N-CA 123.397 0.679 . . . . 0.0 109.584 179.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -56.56 -56.82 16.45 Favored 'General case' 0 N--CA 1.457 -0.109 0 CA-C-O 121.111 0.481 . . . . 0.0 110.862 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -58.83 -30.98 68.06 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.821 1.248 . . . . 0.0 111.195 -178.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -57.13 -47.13 81.87 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 118.5 0.591 . . . . 0.0 110.445 -178.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -80.48 -56.64 4.04 Favored 'General case' 0 N--CA 1.457 -0.098 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 173.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 15.4 t -55.33 -27.61 48.28 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.591 0.756 . . . . 0.0 112.641 -171.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -45.45 -34.25 4.77 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 124.552 1.072 . . . . 0.0 113.347 170.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -59.99 -40.39 89.04 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.441 1.121 . . . . 0.0 111.399 175.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -76.91 -31.61 56.82 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.406 0.682 . . . . 0.0 109.427 174.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.69 -85.15 0.2 Allowed Glycine 0 C--N 1.335 0.497 0 C-N-CA 125.359 1.457 . . . . 0.0 111.589 168.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -78.29 -48.2 16.21 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.635 1.174 . . . . 0.0 109.654 -179.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -80.06 60.05 3.47 Favored 'General case' 0 CA--C 1.528 0.105 0 N-CA-C 107.321 -1.362 . . . . 0.0 107.321 174.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -66.88 75.45 0.11 Allowed 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 126.002 1.721 . . . . 0.0 112.336 -166.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 50.2 p -132.59 170.91 14.51 Favored 'General case' 0 N--CA 1.437 -1.077 0 C-N-CA 128.008 2.523 . . . . 0.0 106.642 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 97.0 mt -99.97 173.15 6.8 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 125.182 1.393 . . . . 0.0 107.346 168.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 65.6 p -145.93 162.3 38.08 Favored 'General case' 0 N--CA 1.453 -0.295 0 O-C-N 121.321 -0.862 . . . . 0.0 109.741 177.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -53.02 -35.65 59.66 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 169.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -58.42 -57.58 12.32 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.454 0.702 . . . . 0.0 109.812 175.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -57.22 -42.11 80.75 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.944 -0.472 . . . . 0.0 111.508 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 8.4 mp -57.61 -46.55 83.95 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.727 -0.608 . . . . 0.0 110.543 173.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -58.59 -41.12 85.04 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.093 -1.004 . . . . 0.0 111.085 173.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -54.83 -43.18 72.78 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 119.586 1.084 . . . . 0.0 110.742 173.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 56.2 tp -56.64 -51.74 67.54 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.059 0.845 . . . . 0.0 111.11 172.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -59.5 -41.59 85.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 C-N-CA 119.383 -0.927 . . . . 0.0 110.976 -177.226 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -66.91 -33.65 76.06 Favored 'General case' 0 CA--C 1.533 0.289 0 O-C-N 121.962 -0.461 . . . . 0.0 111.662 176.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -62.81 -45.78 91.02 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.425 0.557 . . . . 0.0 109.893 173.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -63.77 -29.86 71.03 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 122.149 -0.344 . . . . 0.0 111.368 170.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 36.3 tp 78.82 -69.77 0.12 Allowed 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 127.852 2.461 . . . . 0.0 109.899 177.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.8 p -79.97 58.85 3.03 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.694 -0.629 . . . . 0.0 110.112 176.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 31.3 mm 62.92 -72.78 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 127.347 2.259 . . . . 0.0 112.769 172.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -141.75 44.8 0.98 Allowed Glycine 0 CA--C 1.522 0.505 0 N-CA-C 109.716 -1.354 . . . . 0.0 109.716 -173.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.3 m -41.22 -42.87 2.21 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 127.631 2.373 . . . . 0.0 113.478 -175.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -75.04 74.1 2.22 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 176.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 39.6 mt 21.95 -83.03 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 129.782 3.233 . . . . 0.0 115.351 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -51.36 -37.24 46.94 Favored 'General case' 0 CA--C 1.52 -0.177 0 C-N-CA 123.551 0.74 . . . . 0.0 111.167 -178.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -57.94 -22.76 50.47 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-O 117.957 -1.02 . . . . 0.0 112.928 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.85 -51.33 61.38 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 120.395 1.452 . . . . 0.0 109.673 169.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . 0.264 2.4 pp20? -74.76 -34.16 62.43 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 117.684 -1.15 . . . . 0.0 111.495 177.488 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 27.3 mm -63.43 -47.13 93.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 CA-C-N 120.637 1.562 . . . . 0.0 109.791 179.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.2 t -54.93 -56.85 8.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 124.426 1.09 . . . . 0.0 109.627 177.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -55.07 -50.84 68.14 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 123.164 0.29 . . . . 0.0 110.599 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 54.9 tp -56.27 -56.95 14.76 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 123.402 0.681 . . . . 0.0 110.096 -178.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 11.2 ttt -62.87 -37.91 88.75 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 122.99 0.516 . . . . 0.0 110.978 -176.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -56.72 -63.56 1.16 Allowed 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 122.713 0.405 . . . . 0.0 110.209 173.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -59.48 -50.95 71.93 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.443 0.697 . . . . 0.0 110.17 -174.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 52.7 tp -66.86 -46.64 74.4 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.903 0.881 . . . . 0.0 111.179 -174.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -118.19 -69.21 0.86 Allowed 'General case' 0 CA--C 1.521 -0.17 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -169.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.41 -22.94 34.91 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -167.166 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -55.29 -37.93 67.97 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 118.365 0.529 . . . . 0.0 111.617 174.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -114.29 -45.11 3.06 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 124.014 0.926 . . . . 0.0 111.524 -176.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -77.2 75.72 3.76 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 124.358 1.063 . . . . 0.0 109.311 -175.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -44.44 -51.19 8.93 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.965 1.306 . . . . 0.0 109.93 173.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.34 125.15 50.66 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 126.322 1.849 . . . . 0.0 106.062 169.546 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 88.6 t -102.68 117.03 47.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 C-N-CA 125.87 1.668 . . . . 0.0 106.809 -179.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -89.68 156.59 18.46 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 121.524 -0.735 . . . . 0.0 109.542 -171.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -47.86 -42.8 27.5 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.929 -0.482 . . . . 0.0 112.042 175.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -48.74 -47.79 41.25 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 121.854 -0.529 . . . . 0.0 110.971 172.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -66.14 -41.11 90.88 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 118.973 -0.537 . . . . 0.0 110.112 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -55.84 -51.41 67.61 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.851 0.751 . . . . 0.0 110.105 175.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 40.2 mm -58.24 -53.19 49.44 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-O 121.123 0.487 . . . . 0.0 110.84 177.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 23.7 m -62.52 -37.06 84.61 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.706 -0.621 . . . . 0.0 110.033 -175.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -61.09 -44.21 97.71 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.928 1.291 . . . . 0.0 109.943 173.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.11 -50.24 64.84 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 173.288 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -47.11 -59.18 5.84 Favored Glycine 0 CA--C 1.528 0.884 0 C-N-CA 123.882 0.754 . . . . 0.0 111.823 172.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.44 -45.62 76.81 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 124.425 1.09 . . . . 0.0 111.922 -176.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.42 -57.89 10.81 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 175.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.86 -39.36 65.6 Favored 'General case' 0 CA--C 1.529 0.151 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -176.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 27.0 ttt -50.53 -18.62 0.7 Allowed 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.658 1.583 . . . . 0.0 113.713 178.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -50.15 -38.25 14.76 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 CA-C-N 119.327 0.967 . . . . 0.0 110.377 169.711 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 46.79 66.83 0.89 Allowed 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 125.142 1.377 . . . . 0.0 112.522 174.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -36.73 100.22 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.597 1.559 . . . . 0.0 112.913 178.235 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 57.36 49.91 12.33 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.062 0.945 . . . . 0.0 110.258 -179.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 50.61 48.87 21.93 Favored 'General case' 0 C--O 1.226 -0.178 0 C-N-CA 124.046 0.938 . . . . 0.0 109.501 -171.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 95.1 mt 44.88 40.34 4.28 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.409 1.084 . . . . 0.0 112.087 -170.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 53.7 mttp 49.1 37.28 10.37 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.076 0.95 . . . . 0.0 111.692 -175.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.284 0 CA-C-O 116.969 -2.017 . . . . 0.0 112.668 -170.145 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 mmt . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 110.692 -0.114 . . . . 0.0 110.692 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.5 -75.93 0.12 Allowed 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 175.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -173.07 -68.41 0.0 OUTLIER Pre-proline 0 CA--C 1.538 0.515 0 C-N-CA 125.096 1.359 . . . . 0.0 110.943 173.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_endo -77.73 40.44 0.86 Allowed 'Trans proline' 0 CA--C 1.538 0.699 0 C-N-CA 122.627 2.218 . . . . 0.0 113.776 -169.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.5 mp -65.64 -60.62 2.73 Favored 'General case' 0 N--CA 1.456 -0.131 0 O-C-N 120.956 -1.09 . . . . 0.0 108.598 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -58.46 -38.77 78.21 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.104 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -56.68 -46.73 80.97 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 173.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.02 -51.56 67.52 Favored 'General case' 0 C--O 1.231 0.108 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -179.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 48.0 mm -53.13 -54.58 16.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 177.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.63 -54.87 30.23 Favored Glycine 0 CA--C 1.525 0.702 0 C-N-CA 124.28 0.943 . . . . 0.0 111.352 -178.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.82 -51.84 66.08 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.7 tp -56.69 -57.24 13.27 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.448 0.699 . . . . 0.0 111.264 -176.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.5 tp -63.71 -41.06 91.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 O-C-N 121.795 -0.566 . . . . 0.0 109.791 -176.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.03 -55.57 29.59 Favored Glycine 0 CA--C 1.528 0.859 0 N-CA-C 111.585 -0.606 . . . . 0.0 111.585 177.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.3 tt -67.21 -34.08 67.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 O-C-N 121.504 -0.998 . . . . 0.0 110.583 -176.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -58.46 -53.89 53.2 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 118.708 0.686 . . . . 0.0 110.98 171.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -50.44 -45.16 55.73 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 123.732 0.813 . . . . 0.0 110.114 174.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -66.85 -54.66 20.14 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -175.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -61.73 -40.08 93.84 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.016 0.526 . . . . 0.0 110.625 -174.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.9 m -63.13 -65.85 0.63 Allowed 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 170.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -50.94 -34.45 30.52 Favored Glycine 0 CA--C 1.527 0.797 0 C-N-CA 125.942 1.734 . . . . 0.0 113.723 -171.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.3 ttpp -40.1 -38.91 0.8 Allowed 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 125.286 1.434 . . . . 0.0 112.842 172.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -152.55 -39.65 0.11 Allowed 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.342 0.519 . . . . 0.0 111.551 -173.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.49 84.33 0.44 Allowed Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 109.769 -1.332 . . . . 0.0 109.769 174.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -51.42 -37.19 47.23 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.771 0.828 . . . . 0.0 111.653 170.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -57.21 -15.88 6.86 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.139 1.376 . . . . 0.0 112.555 173.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 64.65 42.74 4.59 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.489 1.516 . . . . 0.0 110.928 175.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.8 p -138.98 170.78 15.36 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 127.584 2.354 . . . . 0.0 104.826 169.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.7 tt -92.05 94.19 9.12 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 105.801 -1.925 . . . . 0.0 105.801 -177.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 85.1 p -91.05 170.69 9.82 Favored 'General case' 0 C--N 1.331 -0.197 0 O-C-N 121.669 -0.644 . . . . 0.0 109.952 -172.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -44.0 -37.12 2.79 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.038 0.935 . . . . 0.0 112.618 -177.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -62.6 -52.84 61.78 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.913 -0.492 . . . . 0.0 110.832 176.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -61.98 -37.47 84.94 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 121.637 -0.665 . . . . 0.0 110.18 178.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.6 tp -61.81 -46.69 88.41 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 122.802 0.441 . . . . 0.0 110.125 175.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -56.67 -48.6 77.26 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 122.98 0.512 . . . . 0.0 109.896 175.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -55.39 -42.69 74.36 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 122.293 -0.254 . . . . 0.0 110.915 174.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 39.5 tp -63.37 -48.32 78.42 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 -178.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 76.7 mt -54.75 -51.08 55.31 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 C-N-CA 123.607 0.763 . . . . 0.0 109.257 175.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.0 tm0? -53.32 -49.03 67.89 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.359 0.664 . . . . 0.0 109.885 178.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -60.86 -53.34 58.46 Favored 'General case' 0 N--CA 1.452 -0.355 0 O-C-N 121.791 -0.568 . . . . 0.0 110.566 -178.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -57.35 -35.83 70.42 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 122.163 -0.336 . . . . 0.0 111.223 177.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 61.9 tp -66.14 -40.99 91.05 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 121.894 -0.504 . . . . 0.0 109.903 176.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.4 m -61.63 -44.9 96.11 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 122.915 0.486 . . . . 0.0 110.398 175.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.8 mm -59.15 -41.66 84.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 172.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.46 43.64 53.02 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 171.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.6 p -77.62 51.28 0.89 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.244 1.418 . . . . 0.0 110.355 178.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -55.94 -40.84 73.76 Favored 'General case' 0 C--O 1.226 -0.163 0 C-N-CA 125.439 1.495 . . . . 0.0 111.54 -171.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -63.06 -17.84 62.71 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 178.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.0 mm100 -88.53 4.26 47.37 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-O 118.246 -0.883 . . . . 0.0 111.704 172.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 50.8 p-10 -47.46 -44.61 25.19 Favored 'General case' 0 C--O 1.223 -0.29 0 N-CA-C 115.688 1.736 . . . . 0.0 115.688 -169.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.63 -47.92 58.21 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.381 0.991 . . . . 0.0 110.473 174.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -66.49 -40.7 89.44 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.527 174.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.8 mm -58.91 -45.64 91.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-N 119.789 1.177 . . . . 0.0 110.43 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 68.9 t -57.33 -51.33 70.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 123.866 0.866 . . . . 0.0 109.535 176.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -56.56 -44.81 81.34 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 118.341 0.519 . . . . 0.0 111.316 178.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 29.5 tp -61.73 -49.21 77.34 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.43 1.092 . . . . 0.0 110.171 -178.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.8 mmt -62.31 -40.5 96.52 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.025 0.53 . . . . 0.0 110.678 177.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -59.67 -47.62 84.89 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 118.291 0.496 . . . . 0.0 110.155 172.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -54.09 -48.59 70.51 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.047 0.539 . . . . 0.0 110.826 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 39.7 mt -56.61 -57.84 10.66 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 120.886 0.374 . . . . 0.0 110.324 171.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -74.63 70.75 1.85 Allowed 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.965 0.906 . . . . 0.0 111.047 -177.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.78 57.6 1.31 Allowed 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 169.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 67.02 -38.73 0.34 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 127.38 2.272 . . . . 0.0 113.189 -169.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -74.67 49.59 0.4 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.974 0.91 . . . . 0.0 112.137 176.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -47.92 -38.07 15.72 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 122.425 1.107 . . . . 0.0 109.879 169.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -54.42 -49.25 70.39 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 127.141 2.176 . . . . 0.0 110.91 178.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -142.42 97.13 3.06 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.918 1.687 . . . . 0.0 111.288 -177.105 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 50.8 t -90.32 109.97 21.43 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 104.796 -2.298 . . . . 0.0 104.796 178.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -93.03 169.48 10.39 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.746 -167.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -50.54 -45.55 56.94 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.824 0.675 . . . . 0.0 112.824 -170.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -59.22 -35.87 74.41 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.268 -0.895 . . . . 0.0 111.445 177.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -72.87 -40.13 65.88 Favored 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 121.772 -0.58 . . . . 0.0 109.549 177.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -56.02 -46.55 78.75 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.285 0.564 . . . . 0.0 110.62 172.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 13.2 mm -56.54 -51.29 67.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 C-N-CA 123.55 0.74 . . . . 0.0 110.011 174.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.7 m -55.15 -42.17 72.76 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.714 -0.616 . . . . 0.0 110.555 177.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -58.24 -42.5 86.5 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.314 1.045 . . . . 0.0 111.26 174.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.3 tt -53.36 -53.24 53.9 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 173.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.16 -53.82 21.8 Favored Glycine 0 CA--C 1.525 0.697 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.656 176.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.02 -55.82 28.26 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 117.418 0.609 . . . . 0.0 110.923 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.86 -53.86 35.7 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.377 1.071 . . . . 0.0 109.636 -179.241 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.82 -45.78 89.2 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.321 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 26.5 ttt -62.24 -38.71 90.29 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.768 -0.582 . . . . 0.0 110.813 179.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.4 mp -58.57 -41.18 81.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 124.18 0.992 . . . . 0.0 109.553 173.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -73.64 55.15 0.5 Allowed 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 118.915 0.78 . . . . 0.0 110.403 169.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -63.65 -35.07 79.33 Favored 'General case' 0 N--CA 1.456 -0.125 0 O-C-N 121.235 -0.915 . . . . 0.0 111.735 -169.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -51.24 -55.91 15.69 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.777 0.831 . . . . 0.0 109.572 170.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.18 -36.59 84.69 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 122.013 -0.429 . . . . 0.0 110.271 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 14.2 tp -55.17 -68.59 0.18 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 119.43 -0.319 . . . . 0.0 110.853 176.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.7 1.61 19.59 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 -168.486 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.133 0 CA-C-O 118.008 -1.44 . . . . 0.0 111.721 -179.601 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.476 0.861 0 N-CA-C 110.24 -0.282 . . . . 0.0 110.24 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.03 154.2 38.46 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 122.078 -0.389 . . . . 0.0 110.629 174.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 19.1 m 57.74 65.63 3.3 Favored Pre-proline 0 CA--C 1.539 0.534 0 C-N-CA 123.779 0.831 . . . . 0.0 112.522 178.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -55.18 -36.44 93.2 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 123.031 2.487 . . . . 0.0 111.813 175.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 54.3 tp -53.18 -52.13 59.82 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.878 -0.514 . . . . 0.0 110.165 171.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -63.59 -40.49 97.07 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 122.266 -0.271 . . . . 0.0 110.631 -177.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -55.42 -45.4 76.76 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 171.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.3 -47.59 85.28 Favored 'General case' 0 C--O 1.236 0.356 0 O-C-N 121.948 -0.47 . . . . 0.0 110.878 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 44.1 mm -50.94 -51.46 20.71 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 171.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.25 -54.08 10.59 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 125.347 1.451 . . . . 0.0 112.207 176.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 87.8 mt -58.47 -55.51 34.11 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 117.781 0.791 . . . . 0.0 110.245 179.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -59.2 -54.59 45.18 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.197 0.522 . . . . 0.0 110.463 -174.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 7.3 tt -61.3 -39.97 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.14 -47.78 66.0 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 123.924 0.773 . . . . 0.0 111.377 174.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 40.3 mt -59.58 -54.78 29.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 O-C-N 121.874 -0.78 . . . . 0.0 109.195 175.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -60.19 -27.77 67.41 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 121.566 0.698 . . . . 0.0 112.433 -177.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 48.0 t60 -56.37 -30.1 62.25 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 123.912 0.885 . . . . 0.0 111.026 177.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -54.86 -43.52 73.17 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.647 0.658 . . . . 0.0 110.452 176.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -77.61 -49.75 13.94 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 4.1 m -51.81 -37.85 53.39 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.268 0.627 . . . . 0.0 111.883 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.6 -22.61 40.07 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 125.375 1.464 . . . . 0.0 113.275 -179.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -63.65 -22.75 67.07 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.952 1.376 . . . . 0.0 111.293 174.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 74.8 -56.68 0.63 Allowed 'General case' 0 C--N 1.34 0.191 0 C-N-CA 126.234 1.814 . . . . 0.0 110.873 174.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.1 -30.62 47.2 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 123.955 0.788 . . . . 0.0 112.204 177.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -64.98 -17.36 64.36 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.288 0.635 . . . . 0.0 112.637 176.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 25.2 mtmm 72.98 -66.25 0.32 Allowed 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 127.284 2.233 . . . . 0.0 110.334 -175.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -179.06 54.61 0.01 OUTLIER 'General case' 0 C--O 1.234 0.248 0 C-N-CA 126.641 1.976 . . . . 0.0 106.783 -178.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 16.9 p -140.92 151.63 44.37 Favored 'General case' 0 N--CA 1.442 -0.826 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 -174.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 5.1 tt -94.17 97.98 10.65 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 104.066 -2.568 . . . . 0.0 104.066 168.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.85 166.0 13.31 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.992 0.917 . . . . 0.0 108.905 -170.551 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 6.0 tmtp? -50.39 -41.04 51.4 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 119.237 0.926 . . . . 0.0 112.083 -174.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -58.02 -41.36 82.98 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.83 -0.544 . . . . 0.0 111.468 174.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -71.15 -36.4 72.03 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.862 0.865 . . . . 0.0 110.195 178.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 tt -58.71 -50.03 75.42 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 172.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.33 -46.44 86.21 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.26 0.624 . . . . 0.0 110.968 175.541 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -53.82 -53.83 46.87 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 122.968 0.507 . . . . 0.0 110.045 176.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 66.8 tp -56.96 -49.3 76.13 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.657 0.783 . . . . 0.0 110.461 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 29.0 mt -50.65 -53.54 12.71 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.151 0 C-N-CA 123.268 0.627 . . . . 0.0 109.53 173.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -53.93 -52.2 61.38 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.066 0.546 . . . . 0.0 110.478 -179.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -57.63 -51.81 68.0 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 118.006 0.366 . . . . 0.0 111.928 178.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -59.79 -37.12 78.22 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 120.258 -0.577 . . . . 0.0 111.409 179.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 38.6 tp -75.26 66.15 1.7 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.833 1.253 . . . . 0.0 110.054 -174.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 21.8 p -138.81 176.37 8.75 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.909 1.283 . . . . 0.0 109.676 -177.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 33.9 pt -75.56 -36.52 34.92 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 122.97 0.508 . . . . 0.0 111.376 -178.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -55.25 -43.0 84.12 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 123.533 0.587 . . . . 0.0 112.368 -173.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.69 -15.76 63.11 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.741 1.617 . . . . 0.0 112.642 177.364 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt 70.15 -69.43 0.17 Allowed 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 126.128 1.771 . . . . 0.0 111.821 171.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -100.37 37.78 1.62 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.57 1.148 . . . . 0.0 109.459 175.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -36.04 -54.86 0.77 Allowed 'General case' 0 C--O 1.223 -0.327 0 C-N-CA 125.041 1.337 . . . . 0.0 113.102 179.416 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -65.02 -33.52 76.24 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 119.534 1.061 . . . . 0.0 112.764 -173.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.88 -41.3 95.71 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 174.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -62.55 -42.05 99.29 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 118.051 -0.976 . . . . 0.0 110.785 171.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 14.3 mm -58.17 -52.61 56.6 Favored 'Isoleucine or valine' 0 C--N 1.344 0.352 0 CA-C-N 120.126 1.33 . . . . 0.0 109.793 -174.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.1 m -58.76 -46.61 90.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.263 -174.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -63.64 -50.57 68.8 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 177.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 54.9 tp -56.48 -57.28 13.02 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.357 1.063 . . . . 0.0 110.195 -174.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 21.4 ptt? -58.75 -44.42 90.56 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.089 0.404 . . . . 0.0 110.269 -175.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -57.92 -57.23 13.72 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 122.743 0.417 . . . . 0.0 110.671 177.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -64.97 -35.39 81.02 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 122.428 0.291 . . . . 0.0 111.466 -175.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.56 -48.5 69.43 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.108 0.963 . . . . 0.0 110.214 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -69.28 79.95 0.36 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 122.614 0.366 . . . . 0.0 111.53 -173.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -72.09 66.57 0.62 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.723 0.809 . . . . 0.0 109.125 172.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 68.14 -55.27 0.51 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 126.845 2.058 . . . . 0.0 113.646 -177.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 55.5 mttm -77.4 63.9 2.66 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.032 0.933 . . . . 0.0 112.073 -169.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -46.9 -41.37 15.8 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.338 1.055 . . . . 0.0 112.561 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 9.7 tp60 -49.67 -57.36 7.37 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 123.423 0.689 . . . . 0.0 110.894 179.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -150.44 126.98 10.82 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.822 167.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 35.0 m -93.91 138.85 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 N-CA-C 106.167 -1.79 . . . . 0.0 106.167 169.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -88.65 159.61 17.77 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 -169.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -43.85 -44.45 6.9 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 178.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -58.51 -39.38 79.92 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.321 -0.862 . . . . 0.0 112.141 176.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -72.37 -39.91 67.68 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.436 -0.79 . . . . 0.0 110.18 178.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -56.22 -46.41 79.51 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 121.289 0.566 . . . . 0.0 110.003 170.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 10.2 mm -59.1 -46.54 91.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 C-N-CA 123.502 0.721 . . . . 0.0 110.014 175.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 28.6 m -58.17 -41.84 84.72 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.061 -1.024 . . . . 0.0 110.723 175.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -56.87 -44.45 82.24 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.905 0.882 . . . . 0.0 110.607 172.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.91 -50.64 65.93 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 172.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -45.72 -59.05 5.08 Favored Glycine 0 CA--C 1.523 0.564 0 C-N-CA 123.987 0.803 . . . . 0.0 111.573 174.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.7 -51.83 67.3 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 117.959 0.879 . . . . 0.0 111.44 178.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 63.4 tp -55.87 -34.76 65.77 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 125.026 1.33 . . . . 0.0 111.504 -177.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.25 -47.74 15.39 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.464 0.705 . . . . 0.0 111.232 174.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 48.0 ttm -52.23 -34.62 46.65 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 126.526 1.93 . . . . 0.0 112.464 -173.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 20.5 pt -57.73 -29.44 34.96 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 176.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -78.91 55.97 1.85 Allowed 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 119.866 1.212 . . . . 0.0 107.922 169.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -56.66 -34.33 67.24 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 -165.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -49.65 -39.11 35.0 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.561 0.745 . . . . 0.0 111.669 174.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -77.1 -22.99 51.9 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 122.921 0.488 . . . . 0.0 111.776 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 4.8 tt -76.61 -50.54 13.55 Favored 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 174.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 42.0 tttm 64.64 -70.15 0.08 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.993 2.117 . . . . 0.0 111.763 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.3 0 CA-C-O 118.059 -1.412 . . . . 0.0 112.475 -172.405 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.4 mtt . . . . . 0 N--CA 1.477 0.904 0 CA-C-O 121.035 0.445 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 61.33 -85.84 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 125.618 1.567 . . . . 0.0 111.802 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -50.92 -54.09 40.8 Favored Pre-proline 0 CA--C 1.534 0.335 0 CA-C-O 117.594 -1.193 . . . . 0.0 114.06 -168.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -58.45 -53.98 3.46 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 122.312 2.008 . . . . 0.0 111.246 -175.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 83.0 mt -58.09 -50.5 73.24 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -58.79 -55.03 40.38 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.534 0.734 . . . . 0.0 111.8 -176.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -63.3 -34.2 77.18 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.085 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.73 -60.32 3.46 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-N 118.308 0.504 . . . . 0.0 110.043 178.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.4 tt -60.42 -44.66 96.64 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -178.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.94 -53.75 32.11 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 176.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 51.2 tp -59.71 -51.94 67.61 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 117.195 0.497 . . . . 0.0 110.328 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 73.5 mt -55.17 -55.26 33.21 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 122.443 0.297 . . . . 0.0 111.065 -179.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 55.4 mt -55.0 -56.35 11.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 178.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -51.55 -55.73 18.71 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 111.45 -0.66 . . . . 0.0 111.45 -177.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 21.2 mm -56.68 -53.12 45.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 O-C-N 122.496 -0.414 . . . . 0.0 109.95 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -64.09 -46.36 84.61 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 117.904 0.32 . . . . 0.0 111.793 -173.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 57.6 t60 -49.95 -51.58 40.23 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 125.321 1.448 . . . . 0.0 109.873 170.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -55.32 18.05 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -172.385 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -48.82 -66.98 0.31 Allowed 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 126.553 1.941 . . . . 0.0 110.272 176.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -64.58 -39.46 93.77 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.752 0.311 . . . . 0.0 110.658 -174.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.28 -60.8 7.27 Favored Glycine 0 C--N 1.336 0.54 0 C-N-CA 124.35 0.976 . . . . 0.0 111.301 178.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -58.9 -43.95 91.13 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 117.078 0.439 . . . . 0.0 110.978 -179.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -67.59 -40.48 84.81 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -175.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -177.36 45.64 0.1 OUTLIER Glycine 0 CA--C 1.524 0.643 0 CA-C-O 119.173 -0.793 . . . . 0.0 113.717 178.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.7 t70 66.97 -66.35 0.19 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.23 1.812 . . . . 0.0 114.085 170.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -52.51 125.81 17.52 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 125.039 1.336 . . . . 0.0 110.24 -171.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -79.45 61.4 3.48 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 121.556 0.694 . . . . 0.0 109.201 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 46.1 p -143.21 142.97 31.57 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 105.501 -2.037 . . . . 0.0 105.501 -174.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.4 tt -88.45 83.12 6.85 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 103.707 -2.701 . . . . 0.0 103.707 -174.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.63 174.18 7.32 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 126.694 1.998 . . . . 0.0 108.978 -170.708 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -48.13 -43.67 31.38 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.72 -0.613 . . . . 0.0 112.648 -170.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -56.56 -56.84 16.24 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.08 0.552 . . . . 0.0 110.584 175.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 55.4 mp0 -53.5 -46.04 69.89 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.621 1.168 . . . . 0.0 110.034 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.6 tt -60.26 -51.51 69.26 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 122.975 0.51 . . . . 0.0 109.872 178.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.3 ttmm -53.49 -48.47 68.92 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 123.231 0.612 . . . . 0.0 110.343 178.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -59.13 -50.6 73.45 Favored 'General case' 0 N--CA 1.454 -0.247 0 O-C-N 121.782 -0.574 . . . . 0.0 109.697 177.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 55.8 tp -52.38 -56.27 16.07 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 122.864 0.465 . . . . 0.0 110.553 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 33.8 pt -60.6 -43.05 93.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.494 -176.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -55.34 -51.68 65.96 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 118.987 0.812 . . . . 0.0 111.171 175.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -55.85 -47.13 77.82 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.437 0.295 . . . . 0.0 110.936 178.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -61.99 -33.88 75.13 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 118.726 -0.654 . . . . 0.0 112.071 177.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 41.9 mt -77.29 -36.67 53.98 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 118.78 0.718 . . . . 0.0 112.206 -175.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.1 t -70.08 -177.8 1.46 Allowed 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 118.45 0.568 . . . . 0.0 111.135 174.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 84.0 mt 60.1 -76.83 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 C-N-CA 126.753 2.021 . . . . 0.0 110.636 -174.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.54 -24.2 59.25 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 178.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.2 m 76.67 83.11 0.09 Allowed 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.52 1.528 . . . . 0.0 113.013 170.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 65.9 mttm 73.11 -53.3 0.7 Allowed 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 126.492 1.917 . . . . 0.0 115.204 167.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 82.8 mt -49.48 -33.37 14.23 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.474 1.11 . . . . 0.0 113.034 -171.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.29 -11.98 0.35 Allowed 'General case' 0 C--O 1.226 -0.162 0 C-N-CA 125.77 1.628 . . . . 0.0 113.024 174.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -50.7 -37.0 38.82 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 119.874 1.215 . . . . 0.0 112.014 169.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.73 -39.13 16.87 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.371 0.668 . . . . 0.0 111.152 171.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -79.92 -46.55 16.56 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 123.631 0.772 . . . . 0.0 110.504 171.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . 0.256 0.9 OUTLIER -58.97 -37.33 66.81 Favored 'Isoleucine or valine' 0 C--N 1.345 0.41 0 C-N-CA 118.564 -1.255 . . . . 0.0 111.928 -171.263 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 34.2 m -61.26 -39.76 83.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-N 119.024 0.829 . . . . 0.0 110.874 177.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? -67.23 -47.84 69.6 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.5 mp -59.81 -48.32 82.16 Favored 'General case' 0 C--O 1.225 -0.199 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 178.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.7 tpt -51.69 -55.23 20.71 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.373 1.069 . . . . 0.0 110.006 174.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -52.96 -52.28 58.6 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.204 0.602 . . . . 0.0 111.002 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -57.03 -55.16 38.34 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 122.649 0.38 . . . . 0.0 111.131 178.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 60.0 mt -53.41 -42.17 66.72 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.198 0.599 . . . . 0.0 110.447 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -59.38 -21.78 60.4 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 -179.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 58.9 mmt-85 -41.97 -39.29 1.84 Allowed 'General case' 0 C--N 1.344 0.349 0 C-N-CA 125.31 1.444 . . . . 0.0 114.493 -170.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.4 50.15 0.51 Allowed 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.407 1.003 . . . . 0.0 111.78 174.566 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? 37.89 36.85 0.11 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 128.349 2.66 . . . . 0.0 114.628 -177.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -175.8 140.53 0.44 Allowed 'General case' 0 CA--C 1.523 -0.095 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.82 38.97 0.27 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.373 1.069 . . . . 0.0 112.138 -178.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -143.13 131.47 22.13 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 106.23 -1.767 . . . . 0.0 106.23 177.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.4 t -120.9 139.85 46.88 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 C-N-CA 123.34 0.656 . . . . 0.0 110.053 -170.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -92.24 155.97 17.61 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 124.096 0.958 . . . . 0.0 109.798 -175.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -38.26 -62.41 0.58 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.392 1.477 . . . . 0.0 113.946 -174.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -60.75 -31.88 71.19 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 121.055 -1.028 . . . . 0.0 110.331 -176.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -77.73 -28.22 50.75 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 121.542 -0.724 . . . . 0.0 110.131 179.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -66.04 -46.43 77.86 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 171.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.5 mp -56.78 -49.07 79.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 O-C-N 122.111 -0.368 . . . . 0.0 110.193 171.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 30.1 m -61.18 -37.5 83.16 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 120.862 -1.149 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -58.36 -44.06 88.65 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.072 0.949 . . . . 0.0 110.677 171.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.2 tt -54.2 -51.58 63.96 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 171.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -46.16 -54.98 7.92 Favored Glycine 0 C--O 1.222 -0.632 0 CA-C-O 119.094 -0.837 . . . . 0.0 111.996 175.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.06 -56.19 22.57 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 118.153 0.977 . . . . 0.0 110.598 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 96.6 mt -52.21 -52.36 52.71 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 122.773 0.429 . . . . 0.0 110.818 -178.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.72 -48.98 76.88 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 120.624 0.25 . . . . 0.0 111.089 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 16.6 tmm? -56.5 -44.66 80.93 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 124.824 1.25 . . . . 0.0 111.022 -175.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 26.6 pt -60.82 -13.22 6.53 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 119.785 -0.766 . . . . 0.0 112.714 178.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -91.33 25.65 2.49 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.296 0.953 . . . . 0.0 111.486 170.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -45.14 -35.32 3.1 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.808 1.243 . . . . 0.0 112.198 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.4 mp0 -50.7 -38.62 48.14 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.352 1.061 . . . . 0.0 111.584 177.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.15 -36.18 81.06 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.739 0.416 . . . . 0.0 111.031 176.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 46.3 mt -71.61 -54.84 9.13 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 176.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -77.97 54.25 1.28 Allowed 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.665 -0.647 . . . . 0.0 109.81 176.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.141 0 CA-C-O 117.417 -1.769 . . . . 0.0 109.928 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 51.8 ttm . . . . . 0 N--CA 1.476 0.825 0 CA-C-O 120.505 0.193 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.35 174.89 12.87 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 125.086 1.354 . . . . 0.0 107.347 178.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -167.06 164.6 9.75 Favored Pre-proline 0 CA--C 1.535 0.367 0 C-N-CA 126.083 1.753 . . . . 0.0 106.759 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_exo -44.75 -45.93 13.06 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 123.893 3.062 . . . . 0.0 114.064 -178.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 86.2 mt -58.22 -41.72 84.7 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.976 -0.452 . . . . 0.0 111.336 177.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -67.44 -43.94 79.9 Favored 'General case' 0 CA--C 1.521 -0.171 0 O-C-N 121.819 -0.55 . . . . 0.0 109.692 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 14.4 tp60 -56.69 -42.77 79.65 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 174.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.76 -52.47 63.08 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 122.897 0.479 . . . . 0.0 109.861 -178.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 61.8 mt -49.06 -58.04 1.43 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 123.808 0.843 . . . . 0.0 109.106 174.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.26 -51.63 20.22 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 124.057 0.837 . . . . 0.0 111.489 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 5.6 tt -62.17 -54.72 36.99 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 122.405 -0.468 . . . . 0.0 110.496 -177.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 pp -64.35 -41.39 96.78 Favored 'General case' 0 C--O 1.237 0.412 0 O-C-N 122.02 -0.425 . . . . 0.0 111.961 -173.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 10.8 pt -66.42 -38.18 81.21 Favored 'Isoleucine or valine' 0 C--N 1.342 0.251 0 C-N-CA 120.125 -0.63 . . . . 0.0 109.719 172.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -52.61 -56.14 19.41 Favored Glycine 0 CA--C 1.528 0.869 0 C-N-CA 124.017 0.818 . . . . 0.0 111.807 176.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 6.9 tp -62.15 -46.87 95.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 117.961 0.881 . . . . 0.0 110.113 177.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -55.23 -43.55 74.66 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.306 0.503 . . . . 0.0 111.204 -178.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -55.06 -33.12 62.45 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 125.393 1.477 . . . . 0.0 112.464 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -56.91 -35.06 68.56 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 118.73 0.696 . . . . 0.0 110.322 178.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -81.0 -65.51 1.0 Allowed 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 169.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 18.8 m -72.63 71.8 1.0 Allowed 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 124.36 1.064 . . . . 0.0 110.313 178.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -167.63 -43.1 0.03 OUTLIER Glycine 0 CA--C 1.524 0.622 0 N-CA-C 107.243 -2.343 . . . . 0.0 107.243 -174.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -62.56 88.33 0.03 OUTLIER 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 106.731 -1.581 . . . . 0.0 106.731 167.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 73.13 -55.97 0.67 Allowed 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 126.002 1.721 . . . . 0.0 109.263 -168.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 61.18 59.48 9.96 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 109.761 -1.336 . . . . 0.0 109.761 178.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -44.14 -41.85 5.95 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 125.718 1.607 . . . . 0.0 111.825 -174.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -164.51 -158.14 0.4 Allowed 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 104.583 -2.377 . . . . 0.0 104.583 169.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 31.7 p-80 -67.38 65.2 0.07 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.472 0.709 . . . . 0.0 110.544 169.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 12.5 t -146.03 144.42 30.06 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.037 0.935 . . . . 0.0 110.224 -177.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 9.5 tt -97.45 108.14 20.8 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 105.096 -2.187 . . . . 0.0 105.096 169.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.8 m -92.4 171.05 9.3 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.47 0.708 . . . . 0.0 111.173 -169.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -47.26 -46.45 24.61 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.994 0.918 . . . . 0.0 111.894 179.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -50.19 -46.5 54.38 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.632 0.73 . . . . 0.0 110.522 173.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -71.07 -36.1 72.15 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 123.358 0.663 . . . . 0.0 110.997 -177.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 72.9 mt -58.63 -47.48 84.23 Favored 'General case' 0 C--O 1.226 -0.153 0 CA-C-N 118.932 0.787 . . . . 0.0 110.2 170.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -57.06 -53.8 53.97 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 118.288 0.495 . . . . 0.0 110.532 177.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -53.21 -50.65 64.27 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 117.791 0.269 . . . . 0.0 110.955 176.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 tt -53.67 -59.1 5.04 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.236 1.014 . . . . 0.0 109.852 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 76.6 mt -52.14 -50.29 36.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-N 118.12 0.418 . . . . 0.0 109.927 179.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -55.98 -44.18 78.31 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 122.879 0.472 . . . . 0.0 111.768 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -65.29 -58.38 6.07 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 118.449 0.568 . . . . 0.0 110.473 175.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -52.07 -30.98 28.34 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.548 1.139 . . . . 0.0 112.114 -177.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 56.4 tp -55.52 -34.89 65.05 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 118.318 -0.849 . . . . 0.0 112.302 176.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 14.6 t 3.27 102.55 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 128.115 2.566 . . . . 0.0 114.967 -172.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 43.0 mt 70.48 -65.16 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 C-N-CA 126.656 1.982 . . . . 0.0 110.519 -178.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 179.01 51.46 0.08 OUTLIER Glycine 0 CA--C 1.523 0.577 0 N-CA-C 109.961 -1.255 . . . . 0.0 109.961 179.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 49.9 m -80.51 54.09 1.98 Allowed 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.636 1.174 . . . . 0.0 110.327 -176.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -55.72 -43.83 76.91 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.781 1.232 . . . . 0.0 112.071 -170.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 6.2 tt -56.45 -54.78 41.72 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -57.41 -43.87 84.11 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -59.32 -43.95 92.62 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 119.876 -0.73 . . . . 0.0 111.843 177.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.93 -42.78 72.67 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 119.041 0.837 . . . . 0.0 109.824 175.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -61.05 -41.23 96.21 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 119.116 -0.469 . . . . 0.0 110.543 173.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 1.5 mp -66.65 -39.07 82.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-N 119.176 0.898 . . . . 0.0 110.122 -179.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 57.4 t -59.72 -49.81 82.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 175.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -56.04 -49.01 74.93 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.334 0.516 . . . . 0.0 110.681 176.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 tt -52.72 -57.63 9.49 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.711 0.804 . . . . 0.0 109.136 178.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 61.9 ttp -51.14 -49.98 59.78 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.655 1.182 . . . . 0.0 110.566 177.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -56.74 -50.78 71.22 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 122.925 0.49 . . . . 0.0 110.301 -178.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -64.7 -44.77 89.19 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 121.064 0.459 . . . . 0.0 111.395 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 31.6 tp -68.39 -46.52 69.79 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 125.404 1.482 . . . . 0.0 112.342 -173.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -79.02 65.07 4.09 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.531 0.733 . . . . 0.0 112.518 -167.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.03 -31.58 61.2 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.335 0.654 . . . . 0.0 110.204 169.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -69.38 2.13 3.29 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.482 1.113 . . . . 0.0 113.307 174.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? 76.1 -60.14 0.49 Allowed 'General case' 0 C--N 1.338 0.069 0 C-N-CA 125.918 1.687 . . . . 0.0 112.06 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -169.62 -163.89 0.41 Allowed 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 125.286 1.434 . . . . 0.0 109.234 -177.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 75.08 -68.65 0.2 Allowed 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 125.928 1.691 . . . . 0.0 112.416 169.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 13.2 mp0 -135.38 109.55 8.31 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 125.881 1.672 . . . . 0.0 108.622 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 20.2 t -92.41 115.91 32.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 N-CA-C 105.333 -2.099 . . . . 0.0 105.333 174.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -91.33 143.93 26.12 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 121.504 -0.747 . . . . 0.0 109.799 -168.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -52.38 -33.95 45.7 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.182 0.993 . . . . 0.0 113.048 -176.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -58.76 -32.69 69.5 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 120.818 -1.176 . . . . 0.0 111.415 175.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -64.57 -49.61 70.51 Favored 'General case' 0 C--O 1.225 -0.225 0 O-C-N 121.596 -0.69 . . . . 0.0 109.705 172.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -51.83 -47.19 64.46 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.639 0.776 . . . . 0.0 110.129 177.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 16.5 mm -63.95 -57.65 10.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 C-N-CA 122.979 0.511 . . . . 0.0 111.196 179.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 29.2 p -60.47 -33.67 72.92 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.265 -0.897 . . . . 0.0 111.132 -177.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -58.76 -48.92 79.55 Favored 'General case' 0 C--N 1.34 0.165 0 C-N-CA 125.914 1.685 . . . . 0.0 110.358 169.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.23 -48.24 62.16 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 172.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -51.94 -59.04 9.2 Favored Glycine 0 CA--C 1.524 0.639 0 CA-C-O 119.382 -0.677 . . . . 0.0 111.725 175.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.76 -49.26 68.6 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.335 1.067 . . . . 0.0 111.155 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 47.7 tp -59.12 -33.82 71.31 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.307 1.043 . . . . 0.0 111.033 -179.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.87 -50.14 25.7 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 118.342 0.519 . . . . 0.0 111.218 171.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 66.7 mtp -58.37 -19.91 39.54 Favored 'General case' 0 N--CA 1.46 0.047 0 C-N-CA 126.204 1.802 . . . . 0.0 113.574 -169.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 11.0 tp -51.26 -40.07 22.21 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 CA-C-N 118.47 0.577 . . . . 0.0 110.792 169.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 65.07 -41.21 0.3 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 127.319 2.248 . . . . 0.0 114.501 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -56.97 139.48 51.87 Favored 'General case' 0 N--CA 1.455 -0.211 0 O-C-N 120.7 -1.25 . . . . 0.0 107.673 167.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 66.56 -61.16 0.32 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.226 1.411 . . . . 0.0 111.855 -170.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.48 -55.63 17.84 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.689 1.195 . . . . 0.0 112.466 -176.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 94.9 mt -103.01 24.52 10.64 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.345 1.058 . . . . 0.0 109.51 169.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? 46.93 34.5 2.73 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.748 1.219 . . . . 0.0 111.919 -173.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.095 0 CA-C-O 117.184 -1.898 . . . . 0.0 110.278 -175.593 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.2 mtm . . . . . 0 N--CA 1.478 0.93 0 CA-C-O 119.262 -0.399 . . . . 0.0 111.978 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.95 58.37 0.07 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 126.954 2.101 . . . . 0.0 112.426 -179.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.1 m -54.15 -42.89 95.96 Favored Pre-proline 0 N--CA 1.446 -0.627 0 C-N-CA 125.715 1.606 . . . . 0.0 113.347 -169.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -46.04 -36.31 15.95 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 122.76 2.307 . . . . 0.0 113.809 175.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 88.0 mt -59.71 -49.49 77.55 Favored 'General case' 0 C--N 1.341 0.205 0 CA-C-N 118.504 0.593 . . . . 0.0 109.952 175.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -37.21 74.52 Favored 'General case' 0 N--CA 1.454 -0.238 0 O-C-N 122.07 -0.393 . . . . 0.0 110.886 -176.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.42 -50.99 68.36 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 170.035 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.43 -53.89 53.0 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 122.463 0.305 . . . . 0.0 110.218 -175.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.8 mt -55.24 -51.79 51.93 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 C-N-CA 123.224 0.61 . . . . 0.0 109.379 177.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.56 -58.51 9.0 Favored Glycine 0 CA--C 1.526 0.721 0 C-N-CA 124.0 0.81 . . . . 0.0 111.353 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.16 -50.53 73.18 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 117.153 0.476 . . . . 0.0 110.441 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.8 tp -54.45 -55.87 24.46 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.767 0.827 . . . . 0.0 110.935 -176.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mp -63.68 -41.83 93.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -44.97 -57.82 5.24 Favored Glycine 0 CA--C 1.526 0.769 0 C-N-CA 125.769 1.652 . . . . 0.0 112.23 175.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.8 tp -74.2 -45.27 47.97 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 CA-C-N 117.618 0.709 . . . . 0.0 110.72 178.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -51.23 -50.3 59.41 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 122.664 0.386 . . . . 0.0 110.989 -172.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -61.37 -32.76 72.69 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 119.824 -0.751 . . . . 0.0 111.84 -176.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -71.9 -52.92 14.91 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 178.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -55.06 -51.1 67.39 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.336 0.654 . . . . 0.0 110.582 -179.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 90.4 p -72.61 -34.93 67.7 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.117 0.567 . . . . 0.0 111.373 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -50.66 -27.97 14.25 Favored Glycine 0 CA--C 1.526 0.769 0 C-N-CA 125.309 1.433 . . . . 0.0 113.178 177.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -48.95 -38.23 22.34 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 117.804 0.802 . . . . 0.0 111.925 171.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -68.76 -54.92 13.15 Favored 'General case' 0 N--CA 1.457 -0.111 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 173.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.78 -176.91 39.79 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -56.03 -23.88 35.95 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.747 1.219 . . . . 0.0 112.933 -177.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -67.95 -7.06 25.49 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.825 0.85 . . . . 0.0 112.322 177.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.8 p-80 47.08 62.6 2.31 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.82 1.648 . . . . 0.0 111.661 170.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.9 t -130.69 152.69 49.78 Favored 'General case' 0 N--CA 1.443 -0.825 0 C-N-CA 125.311 1.444 . . . . 0.0 107.85 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.9 mp -92.88 116.66 29.24 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 106.525 -1.658 . . . . 0.0 106.525 174.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.5 p -97.6 173.94 6.89 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 124.662 1.185 . . . . 0.0 108.335 168.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -43.08 -34.96 1.15 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.142 0.577 . . . . 0.0 111.881 168.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -59.75 -62.51 1.82 Allowed 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 118.679 0.672 . . . . 0.0 110.108 178.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.5 mp0 -57.4 -44.18 84.34 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 122.891 0.476 . . . . 0.0 109.947 -177.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.7 tt -54.23 -62.75 1.45 Allowed 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.468 0.707 . . . . 0.0 109.307 177.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -56.53 -53.65 55.02 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.227 0.611 . . . . 0.0 109.564 -175.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.75 -53.66 14.56 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.232 0.613 . . . . 0.0 110.06 178.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.8 tp -57.5 -62.46 1.76 Allowed 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 121.024 -0.27 . . . . 0.0 110.592 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 34.6 pt -63.79 -34.49 68.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 119.729 -0.788 . . . . 0.0 111.462 -170.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -65.63 -52.7 49.8 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.111 0.964 . . . . 0.0 110.099 178.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -62.24 -44.31 96.84 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.456 0.571 . . . . 0.0 111.065 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -61.6 -35.49 78.0 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 173.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.2 tp 60.78 44.3 11.17 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 125.038 1.335 . . . . 0.0 107.89 -167.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -52.61 -35.35 54.28 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.471 1.108 . . . . 0.0 110.973 -174.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mp -37.82 -43.79 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 127.029 2.132 . . . . 0.0 111.04 171.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -47.49 -36.31 11.56 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 124.511 1.053 . . . . 0.0 113.581 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.8 p -68.98 -30.52 68.95 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 118.355 1.077 . . . . 0.0 111.978 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.2 tptm 59.68 -73.13 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 127.036 2.134 . . . . 0.0 112.672 178.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 80.2 mt -55.63 141.67 36.75 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 171.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . 0.414 1.8 pp0? 60.4 -42.62 0.1 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 127.099 2.159 . . . . 0.0 114.62 -169.048 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -60.67 -34.71 74.73 Favored 'General case' 0 C--O 1.225 -0.212 0 O-C-N 120.186 -1.571 . . . . 0.0 112.392 176.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.11 -43.94 31.38 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.501 0.667 . . . . 0.0 109.883 168.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -72.71 -37.48 67.79 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 118.168 -0.92 . . . . 0.0 110.693 175.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 65.1 mt -56.59 -56.09 15.86 Favored 'Isoleucine or valine' 0 C--N 1.345 0.399 0 CA-C-N 120.001 1.273 . . . . 0.0 109.625 175.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.5 p -63.07 -39.62 85.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-O 119.146 -0.454 . . . . 0.0 110.62 -177.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -56.97 -51.87 67.5 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.926 0.784 . . . . 0.0 110.801 174.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.9 mt -59.9 -48.41 81.8 Favored 'General case' 0 N--CA 1.455 -0.177 0 O-C-N 122.141 -0.349 . . . . 0.0 110.282 -178.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 54.5 mtt -54.62 -53.34 55.92 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 176.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -52.98 -52.95 56.52 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.734 0.814 . . . . 0.0 110.977 178.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -63.52 -49.17 74.57 Favored 'General case' 0 N--CA 1.455 -0.186 0 O-C-N 122.269 -0.269 . . . . 0.0 111.485 -177.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 56.0 tp -57.04 -45.3 83.26 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 178.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -59.9 -52.35 65.78 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 122.639 0.375 . . . . 0.0 110.588 178.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.8 ttp-105 -50.45 -43.64 55.27 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 122.472 0.309 . . . . 0.0 110.19 175.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.28 -45.2 81.27 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 119.166 -0.445 . . . . 0.0 111.095 -178.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -107.07 29.22 7.29 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.791 0.836 . . . . 0.0 112.578 -169.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.4 t0 44.58 44.98 7.68 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.644 1.178 . . . . 0.0 111.699 -178.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . 0.308 0.9 OUTLIER 50.44 13.35 0.12 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 128.181 2.592 . . . . 0.0 116.3 -174.844 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -94.62 90.25 6.07 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 172.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 79.6 t -92.08 99.96 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 N-CA-C 105.445 -2.058 . . . . 0.0 105.445 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -90.77 170.14 10.37 Favored 'General case' 0 N--CA 1.461 0.124 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 -175.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -44.27 -51.25 8.5 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -169.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -61.61 -35.45 77.9 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.201 -0.937 . . . . 0.0 111.465 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -71.18 -38.9 72.12 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 121.77 -0.581 . . . . 0.0 110.027 176.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -56.05 -50.2 71.62 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.417 0.553 . . . . 0.0 109.907 171.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 20.3 mm -54.68 -50.24 61.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 O-C-N 121.967 -0.458 . . . . 0.0 109.98 176.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.9 m -55.3 -42.06 73.16 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.768 -0.582 . . . . 0.0 110.596 175.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -62.43 -37.99 88.01 Favored 'General case' 0 C--O 1.224 -0.259 0 C-N-CA 123.316 0.646 . . . . 0.0 111.09 176.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.2 tt -56.1 -49.89 72.58 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 173.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.42 -56.19 13.93 Favored Glycine 0 CA--C 1.53 0.969 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.881 172.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.45 -49.06 78.67 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 117.628 0.714 . . . . 0.0 111.652 -177.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.7 tp -52.99 -57.45 10.29 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.155 0.982 . . . . 0.0 109.053 176.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.4 -41.62 66.15 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 122.931 0.492 . . . . 0.0 111.247 178.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 39.4 ttm -55.67 -33.1 63.8 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.23 0.612 . . . . 0.0 111.7 178.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 36.2 mm -60.46 -29.88 45.37 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 CA-C-N 119.649 1.113 . . . . 0.0 111.255 174.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -91.6 -2.09 57.23 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.209 1.003 . . . . 0.0 112.244 175.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.0 p30 12.76 -83.12 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 128.828 2.851 . . . . 0.0 115.143 174.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -40.0 -42.12 1.33 Allowed 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.656 1.582 . . . . 0.0 111.909 -177.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -43.85 -34.24 1.56 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.962 1.305 . . . . 0.0 113.564 178.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -131.24 -10.02 3.73 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 113.882 1.068 . . . . 0.0 113.882 175.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -90.31 -8.06 51.82 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.982 0.81 . . . . 0.0 111.849 172.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.298 0 CA-C-O 117.853 -1.526 . . . . 0.0 110.891 176.902 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.474 0.746 0 N-CA-C 111.343 0.127 . . . . 0.0 111.343 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 58.48 -71.01 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.269 1.827 . . . . 0.0 113.166 -175.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 173.92 -67.31 0.0 OUTLIER Pre-proline 0 CA--C 1.539 0.548 0 C-N-CA 127.99 2.516 . . . . 0.0 109.66 176.135 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -60.87 -45.93 18.38 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 122.077 1.851 . . . . 0.0 111.338 178.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 60.3 tp -59.52 -46.56 88.51 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 122.829 0.452 . . . . 0.0 110.155 176.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -54.58 -49.14 71.08 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 118.054 0.388 . . . . 0.0 111.034 175.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.34 -42.53 70.34 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 122.973 0.509 . . . . 0.0 110.638 173.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.47 -50.53 58.69 Favored 'General case' 0 CA--C 1.528 0.123 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -175.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 91.1 mt -55.18 -50.4 64.41 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.165 0 C-N-CA 123.692 0.797 . . . . 0.0 108.967 174.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.47 -54.46 24.1 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 124.05 0.833 . . . . 0.0 111.084 178.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 55.0 tp -57.34 -51.67 68.46 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.816 0.447 . . . . 0.0 110.428 179.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 21.8 tp -53.79 -56.46 17.34 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.252 1.021 . . . . 0.0 111.023 -179.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 23.8 mm -57.02 -44.1 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 123.941 0.897 . . . . 0.0 109.053 178.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -50.27 -66.84 2.14 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 123.968 0.794 . . . . 0.0 111.265 174.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 7.8 tp -55.64 -43.97 75.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-N 117.948 0.874 . . . . 0.0 110.555 -176.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -55.61 -48.39 74.98 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 122.04 -0.412 . . . . 0.0 111.232 176.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -62.79 -31.45 72.43 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.2 0.6 . . . . 0.0 111.467 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -56.83 -41.2 77.44 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 119.353 0.979 . . . . 0.0 110.042 175.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -71.9 -66.76 0.6 Allowed 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 172.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 45.9 m -73.75 69.79 1.35 Allowed 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 124.426 1.091 . . . . 0.0 109.344 179.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 174.75 -20.24 0.05 OUTLIER Glycine 0 CA--C 1.531 1.083 0 C-N-CA 126.696 2.093 . . . . 0.0 110.981 -170.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -71.21 71.19 0.59 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.566 1.147 . . . . 0.0 112.79 -173.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 65.36 -68.45 0.11 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 128.094 2.558 . . . . 0.0 113.241 169.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.09 -61.66 1.56 Allowed Glycine 0 CA--C 1.523 0.54 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 -177.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.36 40.1 0.48 Allowed 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.921 0.888 . . . . 0.0 111.209 -169.502 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.59 53.26 1.83 Allowed 'General case' 0 CA--C 1.531 0.218 0 O-C-N 121.021 -1.05 . . . . 0.0 111.702 -175.098 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -150.99 -53.49 0.14 Allowed 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.547 1.139 . . . . 0.0 111.259 -173.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 36.0 p -146.91 173.15 12.68 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 125.686 1.594 . . . . 0.0 107.115 -169.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 91.8 mt -88.25 76.89 8.34 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 105.438 -2.06 . . . . 0.0 105.438 174.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 14.0 m -89.62 171.41 9.7 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 114.462 -1.245 . . . . 0.0 108.524 -178.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -24.75 -62.35 0.06 Allowed 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 126.931 2.093 . . . . 0.0 114.258 -168.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -53.94 -52.29 61.11 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 121.233 0.539 . . . . 0.0 109.945 -176.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -63.89 -41.84 97.62 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 123.762 0.825 . . . . 0.0 110.849 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 52.2 tp -58.33 -51.57 69.24 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 179.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -63.24 -47.96 80.27 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 122.279 -0.263 . . . . 0.0 110.61 -178.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -53.53 -49.26 68.0 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 122.211 -0.306 . . . . 0.0 110.806 173.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 50.4 tp -55.31 -60.02 3.99 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 118.323 -0.846 . . . . 0.0 109.53 -179.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 24.2 pt -58.93 -41.84 84.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 CA-C-N 119.491 1.042 . . . . 0.0 110.75 -176.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -54.53 -46.21 73.51 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 122.511 0.324 . . . . 0.0 110.804 177.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -80.64 -23.25 39.82 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -65.92 -37.44 86.07 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.139 -0.976 . . . . 0.0 109.824 174.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 60.6 tp -41.73 129.27 3.35 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.509 1.124 . . . . 0.0 111.875 177.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 8.9 t -158.93 -177.99 6.92 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 171.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 75.5 mt -132.88 149.33 31.76 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 C-N-CA 125.546 1.538 . . . . 0.0 108.391 -170.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -152.57 -160.7 9.77 Favored Glycine 0 CA--C 1.529 0.916 0 N-CA-C 108.278 -1.929 . . . . 0.0 108.278 172.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 8.7 p -80.5 55.93 2.44 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.82 1.31 . . . . 0.0 110.995 -179.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 23.8 tptm 70.67 -58.22 0.56 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 127.247 2.219 . . . . 0.0 112.415 172.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 8.1 mp -75.28 58.28 0.94 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.561 1.545 . . . . 0.0 108.556 174.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -168.29 -59.36 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 130.434 3.493 . . . . 0.0 103.727 -176.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -51.64 -45.67 63.42 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 122.45 0.3 . . . . 0.0 110.803 172.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -49.46 -44.84 46.09 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.295 0.569 . . . . 0.0 110.505 173.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -69.14 -35.07 75.97 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 118.615 -0.707 . . . . 0.0 110.672 176.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 1.7 mp -62.48 -47.59 92.26 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 119.62 1.1 . . . . 0.0 108.901 175.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 71.5 t -56.76 -48.88 80.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 C-N-CA 123.188 0.595 . . . . 0.0 109.626 177.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -56.11 -48.55 75.96 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 122.184 -0.322 . . . . 0.0 111.053 176.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 13.6 tp -63.09 -47.13 84.19 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.268 0.627 . . . . 0.0 110.132 -176.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 34.2 ttp -54.79 -52.84 61.36 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.908 0.883 . . . . 0.0 109.951 174.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -54.09 -50.96 65.63 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 122.89 0.476 . . . . 0.0 110.678 178.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -53.39 -51.24 63.17 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.355 0.662 . . . . 0.0 111.419 176.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 57.0 mt -58.94 -48.04 82.91 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 122.421 0.288 . . . . 0.0 111.037 178.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -58.5 -49.61 76.76 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 123.499 0.719 . . . . 0.0 111.451 -179.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 18.4 mtp-105 57.36 -70.75 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 127.092 2.157 . . . . 0.0 111.81 -168.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -128.75 -0.4 5.42 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.905 1.682 . . . . 0.0 110.559 -173.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp 72.3 -56.55 0.65 Allowed 'General case' 0 C--N 1.344 0.332 0 C-N-CA 126.717 2.007 . . . . 0.0 111.626 -178.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -71.93 71.25 0.79 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 106.223 -1.769 . . . . 0.0 106.223 167.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -141.36 144.04 34.32 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 126.003 1.721 . . . . 0.0 107.283 -168.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -119.34 129.72 55.0 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 105.22 -2.141 . . . . 0.0 105.22 169.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 93.9 t -104.48 127.21 59.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 -179.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -92.29 155.95 17.6 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.853 0.861 . . . . 0.0 109.919 -175.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -47.75 -46.4 30.0 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.354 0.662 . . . . 0.0 112.635 177.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 68.3 tp60 -63.02 -36.89 85.06 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.194 -0.942 . . . . 0.0 110.789 178.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -64.5 -45.45 87.23 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 176.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -53.35 -50.66 64.56 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 122.986 0.515 . . . . 0.0 111.002 173.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 14.0 mm -56.2 -58.42 5.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 122.963 0.505 . . . . 0.0 110.484 178.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 2.5 m -60.29 -39.57 87.41 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.485 -0.759 . . . . 0.0 110.094 -176.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -54.83 -44.32 73.78 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.647 1.179 . . . . 0.0 110.672 171.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.6 tt -55.11 -50.45 69.18 Favored 'General case' 0 C--N 1.34 0.159 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 176.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -52.23 -58.48 10.74 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 112.054 -0.418 . . . . 0.0 112.054 175.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.0 -43.94 74.07 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.241 1.016 . . . . 0.0 111.741 -177.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 4.7 tt -62.94 -62.21 1.87 Allowed 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 176.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -50.2 -38.39 39.83 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.355 1.062 . . . . 0.0 112.509 -176.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 50.1 ttp -45.37 -33.49 2.56 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.741 1.216 . . . . 0.0 112.996 177.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 4.6 pt -59.41 -30.22 43.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 119.038 0.836 . . . . 0.0 111.722 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -78.59 59.3 2.43 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 121.543 0.687 . . . . 0.0 110.185 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -58.19 -46.32 86.02 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 175.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 47.7 mp0 -75.58 54.63 0.78 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.243 1.417 . . . . 0.0 110.213 175.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -170.87 -55.32 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 127.381 2.272 . . . . 0.0 106.203 175.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 67.5 mt -56.1 -55.27 35.06 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.023 0.529 . . . . 0.0 109.99 172.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -78.96 52.09 1.21 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.899 0.88 . . . . 0.0 109.85 176.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.273 0 CA-C-O 118.002 -1.443 . . . . 0.0 112.504 -174.455 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.2 tpp . . . . . 0 N--CA 1.475 0.81 0 N-CA-C 111.53 0.196 . . . . 0.0 111.53 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.06 162.61 40.99 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 107.17 -1.418 . . . . 0.0 107.17 176.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -169.35 161.99 7.48 Favored Pre-proline 0 C--O 1.235 0.336 0 C-N-CA 124.78 1.232 . . . . 0.0 108.81 -176.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -41.07 -52.43 3.42 Favored 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 124.42 3.413 . . . . 0.0 114.471 -177.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -55.35 -53.73 52.5 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.536 0.607 . . . . 0.0 112.552 -177.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -67.96 -40.7 83.15 Favored 'General case' 0 C--O 1.231 0.099 0 O-C-N 121.544 -0.722 . . . . 0.0 110.928 -178.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -55.13 -44.05 74.7 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 173.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.05 -43.78 77.89 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.648 0.779 . . . . 0.0 111.197 -178.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 70.7 mt -55.57 -49.33 74.44 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 173.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.24 -53.03 36.68 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 175.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 55.5 tp -56.62 -48.39 77.59 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.242 0.617 . . . . 0.0 110.641 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 tt -56.04 -52.02 65.72 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 125.173 1.389 . . . . 0.0 110.233 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.9 mm -53.44 -51.52 40.81 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 173.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.98 -63.37 4.28 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 124.074 0.845 . . . . 0.0 111.779 179.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.3 pt -59.32 -41.11 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 CA-C-N 117.652 0.726 . . . . 0.0 110.814 -177.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -61.58 -51.13 69.81 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 118.599 0.636 . . . . 0.0 111.009 -179.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 14.4 t-80 -61.53 -38.57 87.89 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.177 178.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -65.88 -48.43 71.56 Favored 'General case' 0 CA--C 1.528 0.125 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -177.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -59.2 -63.3 1.35 Allowed 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 124.404 1.082 . . . . 0.0 109.381 178.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 m -59.78 -22.23 61.86 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.303 0.641 . . . . 0.0 111.471 -179.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -43.56 -31.92 1.81 Allowed Glycine 0 CA--C 1.527 0.788 0 C-N-CA 126.841 2.162 . . . . 0.0 112.605 168.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -69.61 69.52 0.27 Allowed 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 118.475 1.138 . . . . 0.0 109.68 169.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . 0.284 9.3 pt-20 53.49 -67.76 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 128.425 2.69 . . . . 0.0 113.549 -169.481 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 49.58 40.33 31.98 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 123.868 0.747 . . . . 0.0 111.37 -176.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.4 t70 60.45 -70.22 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.598 1.559 . . . . 0.0 111.644 -169.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.8 pttm -137.64 48.7 2.01 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.881 1.673 . . . . 0.0 108.442 175.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 50.64 44.33 27.51 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.872 1.269 . . . . 0.0 112.441 -173.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.4 p -116.5 174.57 6.0 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 127.606 2.362 . . . . 0.0 105.351 168.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 tt -90.71 84.04 5.83 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 -168.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.2 t -91.46 170.04 10.28 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.421 1.088 . . . . 0.0 110.491 -175.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -40.64 -48.92 2.99 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.558 1.143 . . . . 0.0 113.103 -173.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -51.02 -54.95 20.1 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.692 0.797 . . . . 0.0 110.656 175.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -66.76 -34.41 77.78 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.296 1.039 . . . . 0.0 110.766 -176.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.4 tt -61.48 -55.18 33.99 Favored 'General case' 0 C--O 1.232 0.161 0 C-N-CA 124.061 0.945 . . . . 0.0 109.601 174.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -55.48 -52.01 65.08 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.094 0.557 . . . . 0.0 109.715 178.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -55.55 -42.15 74.25 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 122.772 0.429 . . . . 0.0 110.993 176.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 59.9 tp -65.06 -48.14 74.85 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 118.824 0.738 . . . . 0.0 109.484 -177.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 82.1 mt -53.8 -53.9 23.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 174.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.4 tp60 -54.19 -41.27 68.38 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.245 0.618 . . . . 0.0 111.686 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -66.29 -61.26 2.11 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.222 0.609 . . . . 0.0 109.767 178.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -55.35 -28.26 52.67 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.531 0.733 . . . . 0.0 111.486 -178.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 tp -42.97 -38.51 2.26 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.733 0.813 . . . . 0.0 111.318 172.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.8 t -60.76 -18.02 52.36 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 -175.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.1 pt -112.66 8.95 8.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 CA-C-N 119.339 0.972 . . . . 0.0 111.771 175.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.47 110.77 4.0 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 -177.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 p -75.93 61.98 1.55 Allowed 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 126.605 1.962 . . . . 0.0 110.486 177.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt 67.02 -74.08 0.07 Allowed 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 126.766 2.026 . . . . 0.0 112.228 169.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 81.9 mt -56.59 -44.97 81.61 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 173.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -60.91 -27.39 68.14 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.379 176.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -65.84 -45.95 80.35 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 120.117 1.326 . . . . 0.0 110.198 172.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.52 -41.18 66.09 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 174.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -64.89 -37.17 86.74 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 118.493 -0.765 . . . . 0.0 112.437 173.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 53.8 mt -64.79 -48.35 84.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 120.227 1.376 . . . . 0.0 108.859 178.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 79.7 t -54.54 -54.27 23.78 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 175.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -53.39 -48.5 68.59 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.246 0.618 . . . . 0.0 110.936 178.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.4 tp -59.71 -50.0 75.56 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 122.748 0.419 . . . . 0.0 110.093 -179.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.3 tpt -63.59 -38.6 91.76 Favored 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 121.937 -0.477 . . . . 0.0 110.612 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -58.14 -51.12 71.02 Favored 'General case' 0 C--O 1.225 -0.201 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 173.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -55.06 -42.8 73.2 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 122.742 0.417 . . . . 0.0 111.483 176.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.8 tp -60.09 -46.82 88.31 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 122.898 0.479 . . . . 0.0 110.106 175.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -70.59 74.51 0.56 Allowed 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 124.165 0.986 . . . . 0.0 109.437 173.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.0 tpp85 -73.92 64.07 0.96 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.645 1.178 . . . . 0.0 110.619 -177.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 64.75 15.73 9.97 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.564 1.546 . . . . 0.0 111.024 -172.499 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -82.43 57.97 3.91 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.559 1.144 . . . . 0.0 108.02 176.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -77.44 60.5 2.07 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.606 0.762 . . . . 0.0 112.049 -168.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -160.4 -59.48 0.06 Allowed 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.678 1.191 . . . . 0.0 108.832 169.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -148.31 160.64 42.78 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 124.159 0.983 . . . . 0.0 111.602 172.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 19.1 m -118.71 157.24 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 N-CA-C 106.311 -1.737 . . . . 0.0 106.311 165.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -93.13 164.04 13.41 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 122.968 0.507 . . . . 0.0 110.703 -169.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -41.34 -45.06 2.93 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.382 1.073 . . . . 0.0 111.575 168.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.2 tp60 -57.7 -34.43 69.44 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 121.197 -0.939 . . . . 0.0 112.155 178.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -74.03 -40.13 63.08 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 121.557 -0.715 . . . . 0.0 110.277 175.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -52.42 -51.91 56.69 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 118.835 0.743 . . . . 0.0 109.962 171.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 16.5 mm -52.32 -55.08 11.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 C-N-CA 123.256 0.623 . . . . 0.0 110.005 174.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 25.6 m -56.71 -36.38 69.62 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.74 -0.6 . . . . 0.0 111.176 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -61.98 -41.3 97.86 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.656 0.662 . . . . 0.0 110.576 176.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.12 -51.9 62.77 Favored 'General case' 0 C--N 1.344 0.348 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 171.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.17 -53.63 14.65 Favored Glycine 0 CA--C 1.525 0.677 0 CA-C-N 115.272 -0.876 . . . . 0.0 112.236 175.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.44 -57.05 13.96 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 118.008 0.904 . . . . 0.0 110.722 -178.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.6 mp -51.96 -57.89 8.13 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 121.226 0.536 . . . . 0.0 110.247 179.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -52.76 -54.52 32.73 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.287 -178.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 31.5 ttp -59.41 -42.09 90.98 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.374 1.07 . . . . 0.0 110.942 -177.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.7 mm -55.92 -56.9 10.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 174.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.1 p90 -81.1 58.06 3.36 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 119.151 0.887 . . . . 0.0 111.363 173.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -37.7 -42.36 0.56 Allowed 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 126.896 2.078 . . . . 0.0 112.819 178.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -53.87 -32.77 54.34 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.802 0.841 . . . . 0.0 111.157 -173.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.01 -36.03 83.09 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 122.167 0.187 . . . . 0.0 111.445 176.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -71.82 -52.45 17.43 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 175.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -167.67 119.26 0.87 Allowed 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.766 0.826 . . . . 0.0 109.247 175.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.263 0 CA-C-O 116.726 -2.152 . . . . 0.0 108.986 177.443 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.66 -36.88 57.65 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.963 0.905 . . . . 0.0 112.537 -176.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 15.7 m 52.91 59.7 13.38 Favored Pre-proline 0 CA--C 1.537 0.475 0 C-N-CA 123.912 0.885 . . . . 0.0 112.505 174.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -57.01 -35.57 98.98 Favored 'Trans proline' 0 N--CA 1.456 -0.717 0 C-N-CA 122.636 2.224 . . . . 0.0 111.272 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 pp -54.73 -42.78 71.98 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.88 -0.513 . . . . 0.0 111.659 172.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -69.14 -45.66 69.54 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -178.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -53.01 -45.71 68.03 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 123.285 0.365 . . . . 0.0 110.02 173.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.77 -59.13 5.31 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.187 0.595 . . . . 0.0 110.523 -175.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 14.1 pt -61.27 -42.86 95.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.088 -179.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.94 -53.67 29.13 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 176.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 6.5 tt -57.15 -58.77 6.77 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.176 0.59 . . . . 0.0 109.994 177.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 55.0 mt -52.83 -51.67 60.02 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 121.154 0.502 . . . . 0.0 110.98 -175.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 35.5 mm -63.54 -44.63 98.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 C-N-CA 122.927 0.491 . . . . 0.0 109.984 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.17 -49.52 55.64 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 175.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.3 mp -58.53 -50.82 77.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 O-C-N 121.987 -0.714 . . . . 0.0 109.631 175.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -55.71 -39.37 70.96 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 117.771 0.259 . . . . 0.0 111.387 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -51.83 -36.16 47.12 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.492 1.117 . . . . 0.0 111.139 -179.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -59.5 -51.62 69.1 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 118.392 0.542 . . . . 0.0 110.21 177.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -59.72 -54.17 49.49 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.6 t -50.93 -43.35 60.06 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.627 0.771 . . . . 0.0 110.533 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.13 -35.05 63.4 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 125.044 1.307 . . . . 0.0 112.872 178.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -71.4 -18.04 62.37 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.412 1.106 . . . . 0.0 111.697 176.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 64.23 -74.05 0.05 OUTLIER 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 126.439 1.896 . . . . 0.0 111.873 -178.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.93 -61.96 1.31 Allowed Glycine 0 CA--C 1.529 0.921 0 N-CA-C 110.092 -1.203 . . . . 0.0 110.092 -169.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -128.13 -53.25 1.3 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.784 1.234 . . . . 0.0 111.506 172.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -150.76 -160.54 1.18 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.799 1.24 . . . . 0.0 107.954 -177.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 36.7 m170 -74.37 58.93 0.76 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.617 0.767 . . . . 0.0 109.078 172.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 18.2 p -146.26 170.79 16.05 Favored 'General case' 0 N--CA 1.44 -0.928 0 C-N-CA 126.381 1.872 . . . . 0.0 107.469 -167.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 81.5 mt -95.88 108.97 21.39 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 176.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 18.7 t -96.85 173.54 7.25 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 124.15 0.98 . . . . 0.0 108.939 168.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -44.51 -43.11 7.7 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.636 1.174 . . . . 0.0 112.604 -174.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -64.11 -45.57 88.01 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.465 -0.772 . . . . 0.0 111.907 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 46.3 mp0 -63.76 -46.49 85.05 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 177.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 36.7 tp -52.76 -57.47 10.06 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.16 0.984 . . . . 0.0 109.497 177.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -56.3 -43.12 78.6 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 121.915 -0.491 . . . . 0.0 110.954 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -55.92 -52.62 63.46 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 118.49 0.587 . . . . 0.0 110.113 174.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 58.3 tp -55.18 -52.73 62.4 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 122.901 0.48 . . . . 0.0 110.814 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 1.7 mp -54.93 -53.87 29.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 122.992 0.517 . . . . 0.0 109.788 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -57.69 -43.38 85.07 Favored 'General case' 0 CA--C 1.529 0.169 0 O-C-N 122.006 -0.434 . . . . 0.0 110.591 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -60.55 -55.9 27.79 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 122.791 0.437 . . . . 0.0 110.543 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -48.59 -44.37 36.85 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.082 0.953 . . . . 0.0 110.865 174.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 6.1 tt -62.93 -50.49 70.6 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -178.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 37.7 m -64.05 -52.19 60.55 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.042 0.937 . . . . 0.0 111.217 -176.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 pp -67.54 -30.06 47.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 O-C-N 122.117 -0.364 . . . . 0.0 110.594 -179.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.23 78.12 0.93 Allowed Glycine 0 C--N 1.337 0.593 0 N-CA-C 110.296 -1.122 . . . . 0.0 110.296 174.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 2.4 p -72.73 43.48 0.11 Allowed 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.632 1.573 . . . . 0.0 112.542 178.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 24.5 mmtm 55.99 -81.26 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 127.299 2.239 . . . . 0.0 111.472 178.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.38 45.69 0.78 Allowed 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.754 0.787 . . . . 0.0 109.681 173.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -57.46 -49.12 77.3 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 123.323 0.649 . . . . 0.0 112.746 -168.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -64.95 -43.73 91.76 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 120.919 -1.113 . . . . 0.0 111.995 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.43 -44.73 62.4 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 172.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -58.1 -45.5 87.09 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 118.582 -0.723 . . . . 0.0 110.919 173.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 10.0 mm -63.94 -52.3 58.48 Favored 'Isoleucine or valine' 0 C--N 1.344 0.349 0 CA-C-N 119.767 1.167 . . . . 0.0 109.672 -177.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 20.3 m -65.23 -32.79 59.78 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 O-C-N 121.723 -0.61 . . . . 0.0 111.079 -178.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -64.42 -47.42 79.19 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 118.708 0.686 . . . . 0.0 110.081 174.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 15.4 mt -55.35 -45.85 76.43 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 118.733 0.697 . . . . 0.0 110.611 175.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 55.6 ttp -59.32 -58.86 6.77 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 120.894 0.378 . . . . 0.0 110.53 176.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -60.01 -39.63 86.46 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.278 0.631 . . . . 0.0 111.762 -174.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -76.79 -70.1 0.48 Allowed 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 61.2 mt -83.57 -69.2 0.65 Allowed 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.226 0.536 . . . . 0.0 111.174 -173.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -85.57 63.63 8.18 Favored 'General case' 0 CA--C 1.521 -0.171 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -167.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 63.7 mtp85 -78.65 49.41 0.88 Allowed 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 168.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 68.52 -37.75 0.36 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.222 1.809 . . . . 0.0 112.228 -168.488 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -56.82 -28.07 60.97 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 126.263 1.825 . . . . 0.0 114.063 -175.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -71.23 74.22 0.69 Allowed 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 121.675 0.75 . . . . 0.0 111.92 -174.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -76.25 -42.12 46.82 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 106.145 -1.798 . . . . 0.0 106.145 166.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -146.93 146.55 30.17 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 125.957 1.703 . . . . 0.0 109.711 168.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 9.2 m -135.25 155.04 36.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 C-N-CA 125.575 1.55 . . . . 0.0 107.883 168.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -92.47 154.02 18.74 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.26 0.624 . . . . 0.0 111.976 -168.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -41.97 -46.5 4.14 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.337 1.055 . . . . 0.0 112.455 171.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 19.4 tp60 -60.42 -34.14 73.52 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.063 -1.023 . . . . 0.0 111.675 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -70.8 -42.44 70.3 Favored 'General case' 0 N--CA 1.455 -0.188 0 O-C-N 121.817 -0.552 . . . . 0.0 109.619 175.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -53.02 -49.36 66.43 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.135 0.425 . . . . 0.0 110.221 171.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 12.8 mm -56.33 -51.74 60.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 122.854 0.462 . . . . 0.0 110.421 176.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 19.7 m -55.14 -43.12 73.88 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.554 -0.716 . . . . 0.0 110.229 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -60.5 -41.41 94.25 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.068 0.547 . . . . 0.0 111.26 174.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.02 -50.77 57.92 Favored 'General case' 0 C--N 1.341 0.232 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 173.042 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.15 -60.12 8.95 Favored Glycine 0 CA--C 1.525 0.66 0 CA-C-O 119.7 -0.5 . . . . 0.0 111.939 175.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.51 -45.4 66.23 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.733 0.813 . . . . 0.0 111.771 -177.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 48.2 tp -61.55 -62.69 1.64 Allowed 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 123.682 0.793 . . . . 0.0 109.614 176.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.72 -38.25 66.88 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.896 0.878 . . . . 0.0 111.505 -174.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 15.7 tpt -52.87 -23.57 7.34 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.993 1.317 . . . . 0.0 112.461 176.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 10.5 tt -51.55 -35.77 17.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 118.975 0.807 . . . . 0.0 111.032 174.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -79.08 51.18 1.12 Allowed 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.155 0.582 . . . . 0.0 110.198 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -59.21 -22.15 60.58 Favored 'General case' 0 C--O 1.223 -0.297 0 C-N-CA 123.431 0.693 . . . . 0.0 112.215 -172.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -43.06 -40.96 3.33 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.723 0.809 . . . . 0.0 111.244 169.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -80.82 -48.41 12.48 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.292 0.637 . . . . 0.0 111.397 178.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -74.54 -23.38 58.79 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -171.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm 68.18 -61.68 0.38 Allowed 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 127.141 2.176 . . . . 0.0 111.547 -175.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.223 0 CA-C-O 117.23 -1.872 . . . . 0.0 109.352 177.106 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.475 0.779 0 N-CA-C 109.921 -0.399 . . . . 0.0 109.921 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -47.34 116.21 1.34 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.035 0.934 . . . . 0.0 111.239 -176.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.5 p -169.01 163.24 7.67 Favored Pre-proline 0 N--CA 1.453 -0.297 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 -173.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -51.5 -44.8 41.56 Favored 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 122.582 2.188 . . . . 0.0 110.99 169.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.9 mt -52.71 -62.18 1.81 Allowed 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.47 0.708 . . . . 0.0 109.65 174.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -60.85 -33.94 73.83 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -176.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.89 -43.43 98.86 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.284 0.493 . . . . 0.0 110.229 172.656 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.23 -49.1 75.51 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 42.6 mm -50.34 -55.17 6.61 Favored 'Isoleucine or valine' 0 C--N 1.342 0.254 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 172.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.79 -50.8 14.12 Favored Glycine 0 CA--C 1.527 0.81 0 C-N-CA 125.564 1.554 . . . . 0.0 112.035 178.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.77 -56.15 20.16 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 122.006 -0.703 . . . . 0.0 110.048 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.0 mt -58.26 -50.08 74.84 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-O 121.946 0.879 . . . . 0.0 111.238 -176.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.0 tt -68.5 -34.76 67.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.643 -177.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.73 -49.78 74.87 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 124.099 0.857 . . . . 0.0 110.971 173.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 75.9 mt -52.67 -53.36 20.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 174.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -58.8 -46.83 86.68 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -179.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -51.42 -42.96 61.85 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 125.505 1.522 . . . . 0.0 110.1 176.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -59.39 -51.47 69.76 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 120.989 0.423 . . . . 0.0 110.401 -176.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -62.4 -45.33 93.62 Favored 'General case' 0 C--O 1.227 -0.088 0 O-C-N 121.87 -0.519 . . . . 0.0 110.614 176.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.3 m -52.05 -41.53 62.39 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 122.342 0.257 . . . . 0.0 111.602 176.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.83 -53.14 43.13 Favored Glycine 0 CA--C 1.523 0.593 0 C-N-CA 124.733 1.158 . . . . 0.0 110.947 174.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -59.31 -37.12 76.96 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 117.577 0.688 . . . . 0.0 112.003 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -61.8 -57.72 10.77 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 118.273 0.488 . . . . 0.0 109.928 170.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.88 -71.84 0.9 Allowed Glycine 0 CA--C 1.528 0.849 0 N-CA-C 110.35 -1.1 . . . . 0.0 110.35 -175.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -80.48 52.85 1.71 Allowed 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.456 1.102 . . . . 0.0 111.064 -176.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.0 ptpp? 146.28 152.43 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 131.318 3.847 . . . . 0.0 106.814 -179.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -128.09 51.33 1.98 Allowed 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 122.475 1.131 . . . . 0.0 108.095 177.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 65.5 p -145.46 152.24 39.48 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 103.824 -2.658 . . . . 0.0 103.824 176.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.7 mp -90.88 152.32 20.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 118.977 0.808 . . . . 0.0 109.114 -169.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 m -145.97 173.18 12.38 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 126.369 1.868 . . . . 0.0 108.003 -172.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -35.93 -53.86 0.76 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.624 1.569 . . . . 0.0 111.893 175.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -42.85 -51.81 5.33 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.902 1.281 . . . . 0.0 111.536 175.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -70.99 -31.43 67.96 Favored 'General case' 0 N--CA 1.451 -0.417 0 O-C-N 121.948 -0.47 . . . . 0.0 110.959 -176.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.9 mt -62.87 -46.67 86.76 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 120.105 -0.638 . . . . 0.0 109.653 171.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 36.2 mmtp -56.41 -48.95 75.87 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.19 0.45 . . . . 0.0 110.25 176.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -53.44 -50.12 65.93 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 122.329 -0.232 . . . . 0.0 110.904 174.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 tt -56.98 -53.86 53.3 Favored 'General case' 0 C--O 1.226 -0.148 0 O-C-N 122.038 -0.414 . . . . 0.0 110.463 -179.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.4 mm -52.17 -46.58 44.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 123.961 0.904 . . . . 0.0 110.173 177.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.3 -53.95 51.54 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 119.3 -0.381 . . . . 0.0 110.619 178.287 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -62.78 -44.21 96.78 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 118.479 0.582 . . . . 0.0 111.115 -175.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -71.82 -12.24 61.19 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.455 0.702 . . . . 0.0 111.289 176.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 39.5 mt 58.45 42.27 21.42 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 126.039 1.736 . . . . 0.0 110.917 173.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 33.3 m -41.14 -50.07 3.5 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 124.774 1.229 . . . . 0.0 113.95 -171.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.1 pt -55.84 -34.35 36.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 C-N-CA 123.307 0.643 . . . . 0.0 112.085 -178.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -90.29 -50.14 3.08 Favored Glycine 0 CA--C 1.526 0.727 0 C-N-CA 124.328 0.966 . . . . 0.0 110.989 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.9 p -65.34 -53.53 42.27 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 117.56 0.68 . . . . 0.0 110.917 -174.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.4 mttm 63.32 -67.99 0.09 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 126.164 1.785 . . . . 0.0 112.285 -177.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 74.4 mt -55.77 150.09 13.44 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.876 1.27 . . . . 0.0 109.471 174.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 66.81 -67.43 0.16 Allowed 'General case' 0 C--O 1.224 -0.271 0 C-N-CA 125.058 1.343 . . . . 0.0 108.734 -167.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.59 -51.64 46.49 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -171.158 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.71 -36.57 62.38 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.351 0.523 . . . . 0.0 110.696 -178.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -73.66 -43.22 60.0 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 123.435 0.694 . . . . 0.0 109.539 172.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -63.19 -34.65 68.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 C-N-CA 122.924 0.49 . . . . 0.0 110.112 -171.176 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 41.3 t -45.76 -39.89 3.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 C-N-CA 124.29 1.036 . . . . 0.0 111.374 173.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -64.19 -43.22 95.74 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 119.039 0.836 . . . . 0.0 110.869 177.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 48.3 mt -67.54 -43.23 81.25 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -178.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 25.2 mmt -59.77 -43.27 94.42 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 173.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -56.14 -48.89 75.39 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.471 -0.768 . . . . 0.0 110.757 173.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -57.12 -44.98 83.82 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 118.393 0.542 . . . . 0.0 112.174 176.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 36.6 tp -55.77 -47.07 77.66 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.407 -0.808 . . . . 0.0 110.266 173.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -89.08 21.24 3.25 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.104 1.362 . . . . 0.0 111.6 -173.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 32.7 ptt-85 -54.71 -23.49 17.84 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 124.183 0.993 . . . . 0.0 113.332 -172.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -70.04 39.75 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.072 0.949 . . . . 0.0 111.88 169.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.39 39.05 2.85 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.465 1.506 . . . . 0.0 112.057 -176.175 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.8 t0 45.2 38.15 3.16 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.017 1.327 . . . . 0.0 112.541 -175.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -73.37 -68.83 0.47 Allowed 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 121.549 0.69 . . . . 0.0 109.502 178.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -136.78 102.49 4.91 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 106.889 -1.523 . . . . 0.0 106.889 176.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 52.3 t -90.16 96.89 6.58 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 N-CA-C 104.426 -2.435 . . . . 0.0 104.426 -175.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -88.63 159.9 17.64 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.878 -166.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -49.89 -37.39 31.07 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 122.156 -0.34 . . . . 0.0 111.481 174.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -52.66 -49.52 65.07 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 121.387 -0.821 . . . . 0.0 111.085 169.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -59.78 -46.38 89.37 Favored 'General case' 0 C--O 1.225 -0.217 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 178.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -53.23 -53.67 47.28 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.322 0.649 . . . . 0.0 111.535 176.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 24.3 mm -62.91 -54.44 33.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 O-C-N 121.746 -0.596 . . . . 0.0 110.898 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.6 p -58.25 -41.22 83.76 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 121.967 -0.458 . . . . 0.0 110.67 -178.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -54.46 -49.08 70.93 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.941 0.896 . . . . 0.0 110.887 170.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.8 tt -55.97 -50.16 71.57 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -49.98 -55.82 13.93 Favored Glycine 0 CA--C 1.532 1.099 0 N-CA-C 111.634 -0.586 . . . . 0.0 111.634 175.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.77 -51.45 68.84 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.712 0.805 . . . . 0.0 110.853 -179.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.1 tp -60.16 -43.81 95.51 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 122.939 0.496 . . . . 0.0 110.45 -178.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.37 -45.62 90.92 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 122.041 -0.412 . . . . 0.0 111.402 175.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 84.2 mtp -60.84 -43.6 98.09 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.988 -0.445 . . . . 0.0 110.915 176.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 74.1 mt -57.88 -42.43 82.26 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 174.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 16.1 m-30 -72.97 52.06 0.31 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.54 0.736 . . . . 0.0 110.726 170.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -56.61 -35.06 67.85 Favored 'General case' 0 C--O 1.22 -0.486 0 O-C-N 121.497 -0.752 . . . . 0.0 110.644 -175.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -51.28 -44.91 61.93 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.277 0.489 . . . . 0.0 111.331 175.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.43 -48.67 26.2 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 53.6 tp -63.76 -54.74 30.54 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 121.342 -0.143 . . . . 0.0 111.181 -174.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.8 tmtm? -157.68 69.21 0.54 Allowed 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.943 1.297 . . . . 0.0 110.343 -179.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 N-CA-C 106.056 -2.817 . . . . 0.0 106.056 166.508 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.472 0.653 0 CA-C-O 119.205 -0.426 . . . . 0.0 112.065 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -173.82 145.59 1.16 Allowed 'General case' 0 C--O 1.233 0.185 0 C-N-CA 124.193 0.997 . . . . 0.0 109.753 -178.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 53.6 p -153.12 164.72 19.48 Favored Pre-proline 0 C--O 1.235 0.338 0 N-CA-C 106.229 -1.767 . . . . 0.0 106.229 169.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.61 -54.58 4.34 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.096 1.864 . . . . 0.0 110.425 175.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 57.2 tp -56.44 -50.44 71.66 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.316 0.646 . . . . 0.0 110.421 178.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -61.37 -45.09 95.82 Favored 'General case' 0 N--CA 1.455 -0.179 0 O-C-N 121.896 -0.503 . . . . 0.0 111.412 -176.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -60.79 -39.35 88.58 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 122.351 -0.218 . . . . 0.0 110.626 174.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.54 -49.6 76.06 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 120.92 0.39 . . . . 0.0 110.207 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 74.1 mt -58.11 -50.16 79.11 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 175.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.62 -55.72 10.66 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 177.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 60.2 tp -53.12 -57.55 10.07 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.798 0.839 . . . . 0.0 110.06 176.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 13.3 tp -50.96 -57.81 7.62 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.149 0.979 . . . . 0.0 110.919 -177.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 32.2 mm -62.48 -42.98 97.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 -177.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -45.83 -69.78 0.75 Allowed Glycine 0 CA--C 1.529 0.916 0 C-N-CA 124.042 0.83 . . . . 0.0 111.305 172.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 9.6 pt -61.31 -41.46 89.83 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 O-C-N 121.974 -0.721 . . . . 0.0 111.115 -175.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -51.31 -57.56 8.56 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 122.912 0.485 . . . . 0.0 110.753 176.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -64.92 -28.44 69.53 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 121.103 -0.239 . . . . 0.0 110.718 -171.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -74.29 -55.95 5.44 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -54.18 -46.88 72.49 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 121.014 0.435 . . . . 0.0 109.835 176.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 12.5 m -76.72 57.39 1.27 Allowed 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.148 0.979 . . . . 0.0 110.474 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 171.33 -67.78 0.14 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.782 -0.527 . . . . 0.0 111.782 -175.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt 44.73 -75.53 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 127.624 2.37 . . . . 0.0 114.329 -176.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -61.57 -35.46 77.85 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 125.072 1.349 . . . . 0.0 110.868 178.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -149.76 159.42 28.08 Favored Glycine 0 C--N 1.336 0.577 0 N-CA-C 109.093 -1.603 . . . . 0.0 109.093 177.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -77.31 58.87 1.72 Allowed 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.016 0.908 . . . . 0.0 111.577 -175.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -61.41 -44.98 96.19 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 122.954 0.501 . . . . 0.0 109.707 177.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 17.4 m170 55.02 24.04 5.65 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 126.424 1.89 . . . . 0.0 110.649 -175.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 9.4 p -147.69 155.63 41.95 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 128.018 2.527 . . . . 0.0 104.305 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 31.0 mt -93.91 151.31 19.66 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 -172.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 25.0 t -146.45 173.43 12.29 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.865 0.866 . . . . 0.0 109.109 175.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -45.33 -45.61 12.46 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 125.396 1.479 . . . . 0.0 110.527 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 47.1 tptt -51.59 -55.87 16.77 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.943 0.897 . . . . 0.0 111.15 177.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.5 mp0 -62.9 -37.28 86.31 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.017 0.527 . . . . 0.0 110.687 -178.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 53.5 tp -63.92 -49.44 72.6 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 120.782 0.325 . . . . 0.0 110.527 176.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -51.47 67.27 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.668 0.787 . . . . 0.0 109.49 177.251 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -55.67 -45.07 77.78 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 119.399 -0.334 . . . . 0.0 110.859 176.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 60.9 tp -55.62 -56.81 16.0 Favored 'General case' 0 N--CA 1.457 -0.101 0 CA-C-N 118.657 0.662 . . . . 0.0 110.683 177.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 39.9 pt -60.88 -37.14 76.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 C-N-CA 119.503 -0.879 . . . . 0.0 111.062 -178.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -57.21 -47.96 79.99 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 122.162 -0.337 . . . . 0.0 110.508 174.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -63.54 -45.67 89.47 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 122.735 0.414 . . . . 0.0 111.332 178.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -56.45 -40.68 75.22 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 118.111 0.414 . . . . 0.0 110.524 174.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 9.3 tp 56.51 29.39 15.33 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.326 1.45 . . . . 0.0 111.364 -179.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.1 p -79.1 64.01 3.91 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.196 1.398 . . . . 0.0 109.542 -178.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 83.6 mt -79.45 -80.86 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 -176.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.63 -78.36 0.13 Allowed Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.044 -1.223 . . . . 0.0 110.044 -169.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 3.5 m 178.86 -93.23 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 127.749 2.419 . . . . 0.0 108.44 169.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -71.5 -35.34 70.74 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.942 0.497 . . . . 0.0 111.7 -169.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 4.0 pp -51.36 -28.75 13.33 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 123.358 0.663 . . . . 0.0 112.434 -176.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -42.54 -46.05 4.73 Favored 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 123.861 0.864 . . . . 0.0 111.631 171.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -69.71 -51.32 35.42 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 119.345 -0.942 . . . . 0.0 111.735 -172.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.38 -42.62 67.09 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 175.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -61.25 -39.95 92.24 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.237 175.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 1.2 mp -67.15 -45.29 86.88 Favored 'Isoleucine or valine' 0 C--N 1.339 0.134 0 CA-C-N 120.295 1.407 . . . . 0.0 108.827 -178.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 75.7 t -57.31 -55.5 20.46 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 178.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -65.05 -43.24 92.95 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 120.204 -0.598 . . . . 0.0 110.871 -177.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 49.2 tp -59.11 -49.26 78.54 Favored 'General case' 0 C--O 1.225 -0.212 0 CA-C-N 118.546 0.612 . . . . 0.0 109.631 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 25.3 ttt -49.91 -62.98 1.26 Allowed 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 174.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -49.86 -59.7 3.61 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.927 0.891 . . . . 0.0 111.809 -178.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -57.65 -51.63 68.73 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.285 1.034 . . . . 0.0 111.384 -177.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.5 tt -81.26 -53.89 5.96 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -168.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -129.11 -15.56 4.19 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 116.687 2.106 . . . . 0.0 116.687 -165.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 25.73 -64.19 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 130.135 3.374 . . . . 0.0 117.692 -175.334 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -47.33 -49.41 24.24 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.777 1.231 . . . . 0.0 109.599 169.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? 66.41 -73.85 0.07 Allowed 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 125.597 1.559 . . . . 0.0 112.54 172.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 32.41 -111.02 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 128.133 2.573 . . . . 0.0 111.619 -175.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -119.3 -49.63 2.37 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 126.318 1.847 . . . . 0.0 110.269 176.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -116.74 107.12 14.27 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.599 1.16 . . . . 0.0 109.265 -172.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 95.9 t -94.14 125.35 46.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 C-N-CA 125.463 1.505 . . . . 0.0 107.316 -178.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -92.15 152.14 20.04 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 121.089 0.471 . . . . 0.0 110.017 -171.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -39.34 -40.08 0.74 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.839 1.656 . . . . 0.0 113.648 174.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.1 tp-100 -55.82 -39.91 72.03 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.04 -1.038 . . . . 0.0 111.453 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -63.12 -41.23 99.29 Favored 'General case' 0 CA--C 1.529 0.171 0 O-C-N 121.632 -0.668 . . . . 0.0 109.977 176.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -59.97 -48.25 82.47 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 122.849 0.459 . . . . 0.0 110.778 175.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 2.9 tp -69.29 -39.61 79.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 O-C-N 121.089 -1.007 . . . . 0.0 110.922 -176.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 14.8 p -62.6 -38.36 89.87 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.151 -0.968 . . . . 0.0 109.982 173.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -57.11 -39.87 75.95 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.205 0.602 . . . . 0.0 110.852 168.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 4.0 tt -59.06 -48.82 80.2 Favored 'General case' 0 CA--C 1.528 0.122 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 175.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -46.55 -52.24 11.32 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.601 -0.6 . . . . 0.0 111.601 170.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.94 -50.86 71.69 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 117.343 0.571 . . . . 0.0 112.012 -179.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 74.1 mt -52.2 -49.86 63.05 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 118.565 0.621 . . . . 0.0 110.088 175.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.58 -43.69 98.4 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.01 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 15.6 tpt -57.74 -43.87 85.65 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 122.045 -0.409 . . . . 0.0 110.447 175.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 75.4 mt -59.31 -41.34 83.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 174.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 9.0 m-30 -73.99 52.14 0.43 Allowed 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.525 -0.734 . . . . 0.0 110.717 171.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 32.6 p-10 -52.26 -38.03 57.1 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 125.104 1.361 . . . . 0.0 111.67 -177.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -44.98 -36.56 3.46 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.229 1.412 . . . . 0.0 112.678 174.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -80.2 -44.98 18.83 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 118.026 0.376 . . . . 0.0 110.825 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 11.0 mp -57.71 -37.46 73.55 Favored 'General case' 0 N--CA 1.463 0.195 0 O-C-N 121.969 -0.457 . . . . 0.0 109.874 177.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 17.6 tptp -55.25 118.6 4.53 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 169.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.076 0 CA-C-O 117.052 -1.971 . . . . 0.0 111.002 178.88 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.1 mmm . . . . . 0 N--CA 1.476 0.841 0 CA-C-O 119.951 -0.071 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 65.73 -63.48 0.22 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.511 1.924 . . . . 0.0 112.057 -178.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.6 m -150.31 80.49 7.06 Favored Pre-proline 0 N--CA 1.452 -0.363 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 173.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -46.32 -59.06 1.35 Allowed 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 124.63 3.553 . . . . 0.0 113.908 -169.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -53.02 -51.31 62.12 Favored 'General case' 0 N--CA 1.457 -0.101 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 -179.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -61.17 -49.93 75.19 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 122.587 0.355 . . . . 0.0 111.136 -175.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -62.03 -36.8 82.68 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 119.557 -0.857 . . . . 0.0 110.729 178.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.74 -54.75 22.95 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 -178.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 65.8 mt -50.69 -54.69 8.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 124.795 1.238 . . . . 0.0 109.08 175.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.3 -49.14 52.17 Favored Glycine 0 CA--C 1.527 0.821 0 C-N-CA 123.688 0.661 . . . . 0.0 111.766 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.3 tp -66.44 -46.62 75.85 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 122.005 -0.703 . . . . 0.0 110.707 -176.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -56.05 -48.77 75.4 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 118.495 0.589 . . . . 0.0 110.524 174.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 60.2 mt -51.6 -53.43 16.52 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.297 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 174.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -51.9 -55.71 19.71 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 123.529 0.585 . . . . 0.0 111.839 179.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.4 mm -54.92 -48.71 74.59 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.108 0 C-N-CA 123.304 0.642 . . . . 0.0 110.195 -178.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -63.28 -53.45 52.67 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 121.528 0.68 . . . . 0.0 110.581 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -54.98 -31.92 61.17 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.861 1.665 . . . . 0.0 111.799 -178.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.4 tptt -51.06 -42.46 60.56 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 118.833 0.742 . . . . 0.0 110.317 175.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -82.54 -71.79 0.47 Allowed 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 122.198 0.999 . . . . 0.0 109.858 170.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.1 m -56.93 -30.02 63.62 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 126.053 1.741 . . . . 0.0 114.259 -167.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.75 -35.07 51.74 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 124.093 0.854 . . . . 0.0 111.706 174.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -65.21 -20.51 66.47 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 117.992 0.896 . . . . 0.0 111.64 178.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -88.48 2.43 52.86 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.8 0.84 . . . . 0.0 111.362 174.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 50.99 -114.35 2.74 Favored Glycine 0 C--N 1.339 0.721 0 C-N-CA 125.448 1.499 . . . . 0.0 112.117 174.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -56.22 -44.13 79.25 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.599 0.76 . . . . 0.0 110.903 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -81.71 61.98 5.33 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -177.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -69.68 74.2 0.41 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.881 1.272 . . . . 0.0 110.595 -171.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 66.6 p -145.96 171.5 14.75 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 129.186 2.994 . . . . 0.0 106.035 -170.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.4 mt -98.28 113.56 25.54 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 173.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.0 p -90.54 164.42 14.24 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 174.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -34.93 -54.79 0.58 Allowed 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 114.217 1.192 . . . . 0.0 114.217 -172.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -59.21 -47.72 84.27 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 122.639 0.376 . . . . 0.0 111.479 -179.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -62.91 -47.37 83.54 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.094 0.558 . . . . 0.0 109.765 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -55.97 -56.33 22.05 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.736 0.815 . . . . 0.0 109.18 178.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -52.59 -54.14 37.11 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.632 0.773 . . . . 0.0 110.842 178.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -57.46 -47.84 80.76 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 -178.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 58.0 tp -56.13 -55.22 35.7 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 122.723 0.409 . . . . 0.0 110.207 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 28.5 pt -64.41 -42.0 94.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 C-N-CA 119.739 -0.784 . . . . 0.0 110.937 -174.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.57 -50.38 70.21 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.498 0.59 . . . . 0.0 110.165 174.093 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -60.86 -55.54 31.87 Favored 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 122.184 -0.323 . . . . 0.0 110.511 -177.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 52.3 tt0 -57.3 -38.05 73.39 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.192 0.597 . . . . 0.0 110.554 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 41.3 tp -62.47 -53.63 51.94 Favored 'General case' 0 C--O 1.23 0.063 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 177.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 49.4 m -54.46 -52.09 62.96 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.324 0.65 . . . . 0.0 109.979 -178.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.9 mm -61.45 -48.45 88.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 C-N-CA 122.179 0.192 . . . . 0.0 110.532 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.85 -59.62 10.16 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.496 -0.642 . . . . 0.0 111.496 -176.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 72.5 m 32.14 59.36 0.36 Allowed 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 126.015 1.726 . . . . 0.0 115.04 -176.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -98.66 -122.72 0.14 Allowed 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 105.393 -2.077 . . . . 0.0 105.393 168.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.1 mp -73.92 74.19 1.65 Allowed 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 169.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -37.33 -49.36 0.97 Allowed 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 126.173 1.789 . . . . 0.0 113.527 -171.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -72.37 -45.63 58.95 Favored 'General case' 0 N--CA 1.453 -0.302 0 O-C-N 121.22 -0.925 . . . . 0.0 113.183 -177.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.1 -44.36 67.53 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 174.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -57.08 -52.3 65.85 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 117.837 -1.078 . . . . 0.0 110.247 171.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -64.49 -43.99 96.92 Favored 'Isoleucine or valine' 0 C--N 1.342 0.281 0 CA-C-N 120.263 1.392 . . . . 0.0 109.748 -169.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 79.1 t -56.21 -59.62 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 C-N-CA 123.418 0.687 . . . . 0.0 109.38 176.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -57.91 -50.84 71.98 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 117.938 0.335 . . . . 0.0 110.52 -176.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 58.6 tp -52.45 -63.09 1.25 Allowed 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 125.458 1.503 . . . . 0.0 110.343 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 45.4 ttp -60.07 -49.46 77.58 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.031 -175.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -55.87 -55.09 36.66 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 122.436 0.294 . . . . 0.0 110.684 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -61.27 -47.46 85.9 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 123.159 0.287 . . . . 0.0 110.385 -174.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 85.8 mt -62.91 -48.75 77.61 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.749 179.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -62.61 -58.38 7.72 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -176.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 35.81 47.25 0.38 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.542 1.537 . . . . 0.0 112.833 -168.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 64.07 68.68 0.56 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.588 1.555 . . . . 0.0 111.587 179.468 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -133.04 -47.75 0.85 Allowed 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 123.8 0.84 . . . . 0.0 111.527 171.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.1 t70 66.11 -66.47 0.17 Allowed 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 126.924 2.09 . . . . 0.0 113.078 177.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . 0.258 0.0 OUTLIER -65.8 -42.8 90.26 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -169.314 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -145.84 123.54 11.86 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.497 1.119 . . . . 0.0 109.446 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 69.1 t -97.62 133.58 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 170.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -92.73 150.1 20.88 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.469 0.707 . . . . 0.0 109.548 -176.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -40.01 -42.6 1.42 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 126.057 1.743 . . . . 0.0 113.089 175.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -56.14 -34.16 65.85 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.578 -0.701 . . . . 0.0 112.089 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -72.05 -43.44 64.93 Favored 'General case' 0 C--O 1.227 -0.101 0 CA-C-N 118.759 0.709 . . . . 0.0 110.666 177.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -52.08 -49.54 63.35 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 172.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 14.9 mm -60.75 -47.57 92.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 C-N-CA 122.909 0.484 . . . . 0.0 111.078 177.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 41.3 m -53.98 -43.94 70.39 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.315 -0.865 . . . . 0.0 109.754 175.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -65.11 -41.21 95.12 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.07 0.548 . . . . 0.0 111.023 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.6 tp -51.24 -48.66 62.07 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 169.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -52.65 -57.54 13.78 Favored Glycine 0 C--O 1.222 -0.603 0 CA-C-O 118.982 -0.899 . . . . 0.0 111.626 173.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.59 -53.58 44.74 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 118.426 1.113 . . . . 0.0 111.408 -178.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.8 mt -46.89 -47.62 21.41 Favored 'General case' 0 C--O 1.226 -0.17 0 C-N-CA 124.423 1.089 . . . . 0.0 110.71 178.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.97 -58.73 3.72 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.866 0.365 . . . . 0.0 110.973 176.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 21.8 ttt -55.56 -28.59 55.84 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 126.631 1.972 . . . . 0.0 113.749 -169.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 17.7 pt -57.31 -29.01 31.78 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-N 119.363 0.983 . . . . 0.0 112.174 173.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 54.21 16.43 1.19 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.882 1.273 . . . . 0.0 114.104 173.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.25 -44.65 92.36 Favored 'General case' 0 CA--C 1.524 -0.049 0 C-N-CA 124.047 0.939 . . . . 0.0 110.229 -173.251 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -78.81 54.42 1.54 Allowed 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 122.963 0.505 . . . . 0.0 111.089 -179.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 46.06 57.17 5.42 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.344 1.057 . . . . 0.0 110.212 -176.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.2 tp 83.33 -21.72 0.27 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.452 1.501 . . . . 0.0 112.819 -176.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -84.78 53.4 2.69 Favored 'General case' 0 C--N 1.342 0.254 0 CA-C-N 120.687 1.585 . . . . 0.0 110.518 -169.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.312 0 CA-C-O 116.846 -2.085 . . . . 0.0 111.827 -172.37 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.751 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.58 -147.57 0.23 Allowed 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.843 0.857 . . . . 0.0 109.988 -176.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m -29.29 -53.52 0.29 Allowed Pre-proline 0 CA--C 1.54 0.584 0 C-N-CA 127.95 2.5 . . . . 0.0 116.427 -178.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -58.99 -49.2 11.83 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.973 1.782 . . . . 0.0 112.25 175.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 62.6 tp -62.3 -45.56 92.7 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 178.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -54.3 -56.02 22.59 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 120.705 0.288 . . . . 0.0 111.636 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -65.19 -29.14 69.93 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 120.181 -0.608 . . . . 0.0 110.863 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.7 -51.82 60.42 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.777 0.717 . . . . 0.0 110.609 176.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 19.7 pt -62.0 -41.26 90.31 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.131 0 O-C-N 121.945 -0.472 . . . . 0.0 109.765 177.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.22 -52.19 23.64 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 171.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.9 tp -60.74 -50.74 72.25 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.528 0.731 . . . . 0.0 110.462 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 66.7 mt -55.87 -46.54 78.23 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.357 0.526 . . . . 0.0 111.439 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 72.2 mt -60.49 -51.62 70.94 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 C-N-CA 123.846 0.858 . . . . 0.0 109.293 176.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.36 -53.71 33.56 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 15.2 mm -53.89 -46.45 64.18 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 C-N-CA 123.924 0.89 . . . . 0.0 109.999 176.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -54.54 -58.77 6.2 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.522 0.677 . . . . 0.0 110.492 176.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -60.0 -28.82 68.02 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.043 -176.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -62.41 -47.86 82.25 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 175.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -57.75 -49.16 77.52 Favored 'General case' 0 C--N 1.34 0.163 0 CA-C-N 118.349 0.522 . . . . 0.0 110.263 175.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 13.7 m -48.78 -49.96 36.22 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 120.734 0.302 . . . . 0.0 110.569 175.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.19 -42.64 98.71 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 125.502 1.525 . . . . 0.0 112.436 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -71.62 64.31 0.44 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.104 0.952 . . . . 0.0 110.775 176.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 49.2 40.29 17.52 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.946 1.298 . . . . 0.0 111.631 177.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.49 -53.46 1.23 Allowed Glycine 0 CA--C 1.523 0.532 0 N-CA-C 109.785 -1.326 . . . . 0.0 109.785 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 32.9 t0 66.96 153.87 0.09 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.767 2.027 . . . . 0.0 111.667 -173.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp 63.33 166.71 0.13 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.691 1.596 . . . . 0.0 112.094 -177.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -97.21 59.5 1.61 Allowed 'General case' 0 N--CA 1.458 -0.05 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 169.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 45.2 p -144.08 147.2 33.45 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 103.889 -2.634 . . . . 0.0 103.889 174.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 80.9 mt -92.09 113.4 25.66 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 178.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 36.1 t -88.54 167.39 13.46 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 175.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -42.29 -49.0 5.08 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.951 0.901 . . . . 0.0 112.882 -169.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 20.4 ttpp -62.41 -42.77 99.68 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.872 -0.518 . . . . 0.0 111.41 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -64.08 -44.41 92.45 Favored 'General case' 0 C--N 1.334 -0.069 0 O-C-N 121.471 -0.768 . . . . 0.0 109.938 178.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -54.84 -50.94 67.39 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 174.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -52.75 -49.31 65.73 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.466 0.706 . . . . 0.0 110.98 175.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -54.67 -48.31 72.52 Favored 'General case' 0 N--CA 1.464 0.227 0 O-C-N 121.26 -0.9 . . . . 0.0 110.993 175.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 10.0 tt -57.18 -56.23 24.53 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 119.313 -0.375 . . . . 0.0 110.791 178.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 44.8 pt -65.99 -32.05 56.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 118.82 0.736 . . . . 0.0 111.947 -174.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -60.64 -59.12 5.9 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 118.315 0.507 . . . . 0.0 109.89 170.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -54.6 -45.65 73.66 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.608 0.763 . . . . 0.0 111.014 -176.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -70.71 -14.33 62.41 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.076 1.351 . . . . 0.0 111.989 178.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 17.9 tp 70.66 1.07 3.54 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.178 1.791 . . . . 0.0 112.676 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.96 -25.29 60.79 Favored 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 120.994 -1.066 . . . . 0.0 111.614 179.428 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 10.4 pt -40.63 -35.84 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 123.907 0.883 . . . . 0.0 112.575 168.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -45.08 -40.6 7.32 Favored Glycine 0 CA--C 1.531 1.055 0 C-N-CA 123.782 0.706 . . . . 0.0 112.716 177.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 9.4 m 46.76 40.67 9.16 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.735 1.214 . . . . 0.0 112.772 177.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 3.9 tmtp? -109.05 -67.55 0.97 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.413 0.685 . . . . 0.0 112.139 -168.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 2.7 mp -96.15 -137.85 0.25 Allowed 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 -179.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -49.85 -32.02 13.3 Favored 'General case' 0 C--N 1.34 0.157 0 C-N-CA 123.786 0.834 . . . . 0.0 111.949 175.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -51.44 -38.01 51.54 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 172.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.8 -47.34 64.3 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 118.569 0.622 . . . . 0.0 110.53 169.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -65.35 -38.15 89.23 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 118.742 -0.647 . . . . 0.0 109.926 175.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 1.9 mp -62.58 -42.71 96.95 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 CA-C-N 120.086 1.312 . . . . 0.0 110.098 177.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 78.9 t -57.69 -42.99 82.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 O-C-N 121.514 -0.741 . . . . 0.0 109.702 172.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -57.23 -43.14 82.59 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.763 -0.586 . . . . 0.0 111.133 175.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 81.5 mt -60.21 -49.53 77.24 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 118.943 0.792 . . . . 0.0 110.575 175.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 62.1 tpp -51.97 -53.32 42.81 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 176.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -55.3 -48.74 73.66 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.816 0.847 . . . . 0.0 111.134 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -55.98 -49.6 73.13 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.313 0.645 . . . . 0.0 110.869 -179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 88.7 mt -64.91 -43.78 91.71 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 120.49 0.186 . . . . 0.0 110.746 178.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -58.52 -48.04 82.17 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.122 0.969 . . . . 0.0 111.509 -178.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 62.45 -69.25 0.06 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 126.603 1.961 . . . . 0.0 111.497 -173.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -158.15 26.34 0.25 Allowed 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.151 1.38 . . . . 0.0 110.725 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -95.75 2.83 54.11 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.048 0.939 . . . . 0.0 112.298 -175.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -49.06 -23.08 1.05 Allowed 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 115.261 1.578 . . . . 0.0 115.261 -171.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -61.38 -48.02 83.17 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 118.456 0.571 . . . . 0.0 110.673 174.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -145.86 96.05 2.74 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 127.332 2.253 . . . . 0.0 109.319 -175.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 93.0 t -92.61 138.86 19.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -91.05 152.9 20.47 Favored 'General case' 0 C--N 1.332 -0.155 0 O-C-N 121.132 -0.98 . . . . 0.0 110.934 -168.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -40.01 -52.77 2.45 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.989 0.916 . . . . 0.0 112.873 173.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -62.06 -22.97 66.2 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 120.88 -1.137 . . . . 0.0 112.342 -178.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -71.53 -36.11 70.92 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 119.139 0.881 . . . . 0.0 110.698 171.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -61.5 -46.63 89.19 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.397 0.999 . . . . 0.0 108.358 174.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 43.8 mm -59.56 -60.41 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.313 178.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 36.0 p -61.31 -30.89 70.77 Favored 'General case' 0 C--O 1.225 -0.199 0 O-C-N 121.379 -0.826 . . . . 0.0 110.752 -177.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.86 -47.26 86.47 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.608 0.64 . . . . 0.0 111.239 169.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.6 -49.66 64.62 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 173.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -46.98 -66.89 1.64 Allowed Glycine 0 C--O 1.221 -0.672 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.476 175.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.25 -50.21 59.65 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.862 1.265 . . . . 0.0 111.516 -177.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 9.0 tt -49.71 -50.26 44.59 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 124.486 1.115 . . . . 0.0 110.408 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.46 -46.95 58.55 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 120.793 0.33 . . . . 0.0 111.344 175.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 23.6 ttp -59.85 -19.71 52.76 Favored 'General case' 0 C--N 1.333 -0.136 0 C-N-CA 126.235 1.814 . . . . 0.0 112.885 -169.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 13.5 tt -47.08 -37.83 4.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-N 118.016 0.371 . . . . 0.0 111.279 169.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 55.66 12.3 0.79 Allowed 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 115.1 1.519 . . . . 0.0 115.1 173.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -62.12 156.64 21.08 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 120.998 -1.064 . . . . 0.0 110.487 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 55.93 39.53 30.57 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.849 0.859 . . . . 0.0 110.785 -177.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 50.0 50.65 18.12 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.93 0.892 . . . . 0.0 110.059 -172.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 13.7 tp 52.19 57.89 6.0 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.759 1.224 . . . . 0.0 109.889 -169.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 23.6 tptm 72.04 -52.56 0.7 Allowed 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.893 1.677 . . . . 0.0 112.729 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.239 0 CA-C-O 117.418 -1.768 . . . . 0.0 111.316 -176.741 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.4 mmm . . . . . 0 N--CA 1.475 0.801 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.67 -19.74 48.31 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 122.893 0.477 . . . . 0.0 110.608 169.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.15 -52.68 11.85 Favored Pre-proline 0 CA--C 1.533 0.32 0 C-N-CA 125.036 1.335 . . . . 0.0 113.156 -175.387 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.33 -46.71 30.54 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 122.309 2.006 . . . . 0.0 112.547 177.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.5 mt -60.52 -49.47 77.43 Favored 'General case' 0 CA--C 1.528 0.125 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 178.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -58.91 -45.17 90.96 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 122.584 0.353 . . . . 0.0 111.854 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -58.14 -43.32 87.27 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.923 0.889 . . . . 0.0 109.526 175.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.13 -47.96 77.91 Favored 'General case' 0 CA--C 1.529 0.157 0 O-C-N 122.138 -0.351 . . . . 0.0 110.376 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 91.7 mt -53.41 -46.29 58.34 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 173.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.1 -54.75 17.79 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 125.119 1.342 . . . . 0.0 111.415 173.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.8 mt -55.62 -50.68 69.53 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 117.234 0.517 . . . . 0.0 110.27 176.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 mp -57.07 -56.74 17.81 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.563 0.619 . . . . 0.0 111.674 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.5 tt -62.78 -39.29 84.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 O-C-N 121.76 -0.588 . . . . 0.0 110.299 -177.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.94 -54.84 32.44 Favored Glycine 0 CA--C 1.528 0.894 0 N-CA-C 110.72 -0.952 . . . . 0.0 110.72 173.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 69.5 mt -55.45 -44.13 74.77 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 C-N-CA 123.645 0.778 . . . . 0.0 109.699 177.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -57.81 -52.04 67.09 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 118.418 0.554 . . . . 0.0 110.583 177.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -61.18 -34.82 75.68 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 121.874 -0.516 . . . . 0.0 111.08 179.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -67.11 -59.75 3.19 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -78.8 -77.58 0.17 Allowed 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.9 1.28 . . . . 0.0 110.307 -173.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -53.59 -45.06 69.88 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 123.301 0.64 . . . . 0.0 110.46 -177.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.29 9.48 47.96 Favored Glycine 0 CA--C 1.529 0.932 0 CA-C-O 118.369 -1.24 . . . . 0.0 114.233 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 37.66 53.74 1.46 Allowed 'General case' 0 C--O 1.234 0.251 0 C-N-CA 125.731 1.612 . . . . 0.0 112.143 177.667 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 44.96 27.7 0.3 Allowed 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.792 2.037 . . . . 0.0 114.275 178.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 141.65 -45.42 0.95 Allowed Glycine 0 C--N 1.337 0.601 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -173.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -76.49 70.86 3.09 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 117.784 0.792 . . . . 0.0 109.538 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -47.18 127.29 10.39 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.855 1.662 . . . . 0.0 113.409 -170.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -155.83 166.89 32.15 Favored 'General case' 0 N--CA 1.44 -0.972 0 C-N-CA 127.4 2.28 . . . . 0.0 107.169 -178.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 65.3 p -96.0 175.72 6.38 Favored 'General case' 0 N--CA 1.439 -1.019 0 C-N-CA 127.35 2.26 . . . . 0.0 105.809 170.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 tt -88.73 77.24 7.91 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 105.946 -1.872 . . . . 0.0 105.946 -170.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.6 p -93.13 172.51 8.26 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 114.926 -1.033 . . . . 0.0 110.36 -177.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.8 pttp -32.2 -43.94 0.08 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.844 1.657 . . . . 0.0 112.69 168.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -57.08 -58.75 6.84 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 121.62 0.724 . . . . 0.0 110.855 177.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.4 mp0 -61.77 -39.83 93.02 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.886 0.874 . . . . 0.0 109.37 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.3 tp -59.67 -57.99 10.52 Favored 'General case' 0 N--CA 1.453 -0.309 0 O-C-N 121.85 -0.531 . . . . 0.0 109.926 178.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -60.38 -37.38 80.58 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 118.739 0.699 . . . . 0.0 110.975 -177.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -53.17 -56.31 17.4 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 172.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.3 tt -57.39 -50.73 72.04 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 122.875 0.47 . . . . 0.0 110.948 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 34.8 mm -55.44 -53.95 30.54 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 -179.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -56.81 -47.78 79.49 Favored 'General case' 0 CA--C 1.531 0.228 0 O-C-N 122.265 -0.272 . . . . 0.0 111.009 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -66.74 -53.59 31.74 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-O 120.682 0.277 . . . . 0.0 111.699 -174.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -78.9 -19.78 51.03 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.153 0.581 . . . . 0.0 111.792 -174.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.5 mt 67.76 -63.78 0.3 Allowed 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.776 1.63 . . . . 0.0 110.328 -169.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.7 t 45.83 36.73 2.99 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 126.814 2.045 . . . . 0.0 113.802 170.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.5 tt -78.98 58.68 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 CA-C-O 122.019 0.914 . . . . 0.0 110.138 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -75.29 65.57 2.35 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.496 -1.042 . . . . 0.0 110.496 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.6 p -50.52 -38.56 45.15 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 125.689 1.596 . . . . 0.0 112.046 -175.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -67.68 76.06 0.19 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.209 1.004 . . . . 0.0 110.21 175.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.2 mp 73.08 -54.8 0.69 Allowed 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 127.583 2.353 . . . . 0.0 112.254 172.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -37.78 -61.68 0.61 Allowed 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 126.011 1.724 . . . . 0.0 113.118 -173.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 43.8 p30 -67.99 -43.79 78.11 Favored 'General case' 0 C--N 1.332 -0.192 0 O-C-N 121.075 -1.015 . . . . 0.0 112.787 -173.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.81 -45.32 59.35 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 171.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -60.51 -44.82 95.61 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 118.772 -0.632 . . . . 0.0 110.784 174.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 82.7 mt -60.64 -49.98 82.26 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 CA-C-N 119.579 1.081 . . . . 0.0 109.39 -179.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 69.4 t -56.45 -48.09 80.64 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 123.606 0.763 . . . . 0.0 110.017 177.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -57.41 -50.97 71.28 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 122.128 -0.357 . . . . 0.0 110.628 178.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 79.3 mt -58.07 -51.75 68.38 Favored 'General case' 0 N--CA 1.457 -0.099 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 55.1 mtt -51.99 -52.91 47.37 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 122.499 0.32 . . . . 0.0 110.467 177.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -55.23 -49.59 71.59 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.335 0.654 . . . . 0.0 111.672 178.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -57.95 -52.04 67.14 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 122.881 0.473 . . . . 0.0 111.119 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.8 mt -65.75 -45.22 83.39 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 123.533 0.733 . . . . 0.0 110.347 -177.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -72.92 76.39 1.17 Allowed 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.724 1.209 . . . . 0.0 109.635 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.4 -32.48 1.37 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.961 1.304 . . . . 0.0 113.198 172.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -67.92 -20.09 65.06 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.986 0.915 . . . . 0.0 113.25 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? 69.27 -53.95 0.58 Allowed 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 128.425 2.69 . . . . 0.0 112.222 -175.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -65.3 106.85 1.44 Allowed 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 105.958 -1.867 . . . . 0.0 105.958 166.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -38.42 100.43 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 126.406 1.883 . . . . 0.0 112.617 -176.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -145.08 74.46 1.41 Allowed 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 127.069 2.148 . . . . 0.0 106.974 174.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.6 t -90.48 114.37 27.94 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 N-CA-C 107.07 -1.455 . . . . 0.0 107.07 -173.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -90.13 165.99 13.66 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 -177.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -52.37 -36.49 53.93 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 121.743 -0.598 . . . . 0.0 112.482 178.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -52.5 -50.34 62.98 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.431 -0.793 . . . . 0.0 110.585 171.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -63.22 -43.7 97.35 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.63 -0.508 . . . . 0.0 109.63 179.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -52.52 -46.35 66.67 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.063 0.545 . . . . 0.0 110.779 175.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 22.6 mm -59.47 -50.04 81.37 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 O-C-N 121.719 -0.613 . . . . 0.0 110.735 177.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.9 p -61.18 -32.16 71.91 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 120.734 -1.228 . . . . 0.0 111.492 174.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.22 -43.3 98.5 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 175.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.58 -53.71 50.97 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 172.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -43.4 -55.51 5.15 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 123.813 0.72 . . . . 0.0 111.576 174.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.36 -53.43 55.04 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.416 0.686 . . . . 0.0 112.232 -178.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 53.7 mt -55.9 -38.51 70.3 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 124.49 1.116 . . . . 0.0 110.749 -178.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.65 -54.74 17.15 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 171.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 56.2 ttp -52.9 -40.19 63.32 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.404 1.082 . . . . 0.0 112.535 -173.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 40.2 pt -57.43 -28.61 31.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 CA-C-N 118.57 0.623 . . . . 0.0 111.871 177.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -75.54 66.13 1.87 Allowed 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 168.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -74.31 172.93 10.96 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 127.034 2.134 . . . . 0.0 111.817 -168.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 68.0 -65.41 0.25 Allowed 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 126.328 1.851 . . . . 0.0 110.533 -174.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -41.44 -50.78 3.87 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 125.841 1.657 . . . . 0.0 112.398 -176.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -121.38 43.52 2.79 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.941 0.496 . . . . 0.0 110.777 173.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -140.37 43.98 1.88 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.988 0.915 . . . . 0.0 110.214 173.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.178 0 CA-C-O 117.551 -1.694 . . . . 0.0 112.659 176.798 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 93.9 mtp . . . . . 0 N--CA 1.475 0.782 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.17 70.38 0.23 Allowed 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.974 1.309 . . . . 0.0 109.946 177.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 19.8 m -67.81 148.33 98.49 Favored Pre-proline 0 N--CA 1.45 -0.45 0 C-N-CA 124.927 1.291 . . . . 0.0 109.023 -173.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_exo -37.09 -54.77 1.01 Allowed 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 124.944 3.763 . . . . 0.0 115.457 -170.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.88 -51.08 68.81 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 122.143 -0.348 . . . . 0.0 110.4 178.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -65.97 -40.63 91.41 Favored 'General case' 0 N--CA 1.455 -0.211 0 O-C-N 121.901 -0.499 . . . . 0.0 111.012 -178.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.32 -43.94 79.47 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 173.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.2 -47.23 68.47 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 122.587 0.355 . . . . 0.0 110.397 -176.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 18.2 mm -52.45 -51.89 30.03 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 171.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.51 -52.7 27.76 Favored Glycine 0 CA--C 1.528 0.889 0 C-N-CA 124.616 1.103 . . . . 0.0 111.438 178.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.8 tp -57.49 -53.19 61.0 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 122.416 -0.461 . . . . 0.0 110.142 178.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 55.4 tp -55.22 -60.3 3.58 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.974 0.909 . . . . 0.0 111.035 -177.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.1 pp -64.2 -39.25 84.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 C-N-CA 123.016 0.526 . . . . 0.0 110.339 -176.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.01 -56.13 27.06 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 178.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 15.0 mm -64.98 -41.75 92.93 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 O-C-N 121.84 -0.8 . . . . 0.0 109.799 -178.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -52.95 -51.74 60.41 Favored 'General case' 0 CA--C 1.528 0.099 0 O-C-N 122.023 -0.423 . . . . 0.0 110.705 174.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.98 -38.66 79.63 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 123.843 0.857 . . . . 0.0 110.124 175.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -60.0 -47.47 85.69 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 118.484 0.584 . . . . 0.0 109.752 -176.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -64.2 -66.81 0.49 Allowed 'General case' 0 C--O 1.226 -0.178 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 170.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 19.0 m -55.51 -16.43 3.84 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 -169.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.75 -25.9 31.1 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 124.927 1.251 . . . . 0.0 113.876 178.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -71.57 94.16 1.29 Allowed 'General case' 0 C--N 1.342 0.261 0 CA-C-N 119.936 1.868 . . . . 0.0 108.78 177.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 76.92 -44.29 0.46 Allowed 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 127.027 2.131 . . . . 0.0 111.293 179.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.35 150.63 20.05 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.106 -1.198 . . . . 0.0 110.106 169.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -82.04 39.7 0.58 Allowed 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.363 -1.08 . . . . 0.0 111.913 -173.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt 71.06 -49.87 0.68 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.186 1.794 . . . . 0.0 113.536 174.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 48.6 t60 -79.34 -7.95 58.71 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.347 1.459 . . . . 0.0 112.482 -178.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 6.7 t -132.72 133.27 43.28 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 118.907 0.776 . . . . 0.0 110.909 -174.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 27.2 tp -94.41 102.19 14.16 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 105.818 -1.919 . . . . 0.0 105.818 170.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 93.8 p -123.13 172.6 8.45 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.856 1.262 . . . . 0.0 111.422 -169.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.9 tttm -28.53 -58.08 0.13 Allowed 'General case' 0 C--O 1.225 -0.219 0 C-N-CA 128.445 2.698 . . . . 0.0 114.833 -169.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -63.74 -50.2 70.03 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.535 0.683 . . . . 0.0 110.052 -172.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -59.14 -46.61 87.9 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.069 0.948 . . . . 0.0 109.832 178.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 89.3 mt -56.9 -49.98 73.92 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 119.052 -0.499 . . . . 0.0 110.599 176.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm -55.29 -51.2 67.46 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 118.612 0.642 . . . . 0.0 110.179 177.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -51.52 -58.11 7.21 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.475 0.58 . . . . 0.0 110.705 176.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 38.3 tp -51.21 -65.82 0.49 Allowed 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.65 0.38 . . . . 0.0 110.693 179.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 2.2 pp -59.76 -41.36 85.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 CA-C-O 119.047 -0.501 . . . . 0.0 111.289 -171.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -58.48 -46.25 87.02 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 119.305 0.957 . . . . 0.0 110.38 176.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.85 -48.32 77.21 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 120.109 -0.636 . . . . 0.0 110.457 179.045 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -54.36 -42.65 70.54 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.07 0.395 . . . . 0.0 111.579 176.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 52.5 mt -62.52 -47.87 82.03 Favored 'General case' 0 C--O 1.226 -0.176 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 178.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 48.6 m -55.6 -59.28 5.06 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 122.59 0.356 . . . . 0.0 110.101 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 15.1 pt -65.87 -33.91 66.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 O-C-N 121.972 -0.455 . . . . 0.0 111.008 -175.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.79 -55.24 31.53 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 174.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 74.0 m 68.45 -47.48 0.55 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 127.996 2.518 . . . . 0.0 113.061 -177.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -139.3 -60.88 0.56 Allowed 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 125.289 1.435 . . . . 0.0 108.338 176.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.4 158.29 17.95 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 170.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 71.19 -54.58 0.67 Allowed 'General case' 0 C--O 1.223 -0.334 0 C-N-CA 124.486 1.115 . . . . 0.0 111.918 -172.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -39.94 -57.02 1.7 Allowed 'General case' 0 C--N 1.334 -0.081 0 N-CA-C 116.317 1.969 . . . . 0.0 116.317 -167.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.29 -40.88 71.58 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.824 0.738 . . . . 0.0 110.232 179.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -67.53 -32.1 72.66 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 123.868 0.867 . . . . 0.0 110.465 174.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 24.0 mm -68.48 -43.89 83.52 Favored 'Isoleucine or valine' 0 C--N 1.342 0.257 0 CA-C-N 119.72 1.145 . . . . 0.0 109.659 176.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 96.8 t -57.73 -49.84 79.49 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 174.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -55.22 -47.44 75.32 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 122.335 -0.228 . . . . 0.0 110.892 177.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 49.4 tp -56.67 -53.14 61.13 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.933 0.893 . . . . 0.0 110.14 177.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 25.7 ttt -54.78 -49.09 71.77 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 122.993 0.517 . . . . 0.0 110.071 -179.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -57.62 -55.07 39.59 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 122.32 0.248 . . . . 0.0 110.706 176.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -53.12 -40.91 64.54 Favored 'General case' 0 CA--C 1.527 0.095 0 C-N-CA 125.166 1.386 . . . . 0.0 111.689 -177.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 78.5 mt -65.61 -61.36 2.13 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 171.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -48.55 -50.96 29.93 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.919 0.887 . . . . 0.0 112.445 -173.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -11.77 3.74 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -177.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -54.75 -39.17 68.04 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-N 118.97 0.805 . . . . 0.0 110.953 168.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -165.39 -63.02 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 121.964 0.888 . . . . 0.0 108.971 -170.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -176.32 -178.76 0.99 Allowed 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 129.345 3.058 . . . . 0.0 104.208 -174.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.37 54.16 0.42 Allowed 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 118.906 0.776 . . . . 0.0 110.379 169.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -147.57 70.64 1.17 Allowed 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 127.331 2.252 . . . . 0.0 107.203 -179.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 55.0 t -92.44 126.27 44.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 N-CA-C 106.795 -1.558 . . . . 0.0 106.795 -170.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -93.68 154.84 17.59 Favored 'General case' 0 N--CA 1.462 0.155 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 -177.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -47.78 -48.73 30.12 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.53 0.732 . . . . 0.0 112.806 -173.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -48.96 -47.54 43.8 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.635 -0.666 . . . . 0.0 111.699 173.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -66.53 -39.96 88.87 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -56.58 -49.68 74.18 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 119.05 -0.5 . . . . 0.0 111.304 174.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.46 -42.99 97.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-N 119.62 1.1 . . . . 0.0 110.293 177.472 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 17.7 m -58.3 -42.72 87.29 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.217 179.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -57.96 -50.45 73.34 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.1 1.36 . . . . 0.0 110.927 173.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 3.4 tt -50.95 -53.16 35.35 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 176.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -52.31 -53.18 32.64 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 124.125 0.869 . . . . 0.0 111.389 175.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.36 -42.24 70.08 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 124.183 0.993 . . . . 0.0 111.6 -178.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 53.3 mt -68.57 -62.13 1.53 Allowed 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 120.591 -0.443 . . . . 0.0 110.428 172.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.74 -40.42 69.29 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.193 0.597 . . . . 0.0 112.313 -169.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 4.2 ppp? -58.95 -24.06 62.18 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 118.521 -0.752 . . . . 0.0 112.553 -178.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 95.7 mt -51.48 -37.18 18.78 Favored 'Isoleucine or valine' 0 C--N 1.342 0.254 0 CA-C-N 119.253 0.933 . . . . 0.0 109.264 173.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -93.02 -54.36 3.76 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.762 0.825 . . . . 0.0 108.806 176.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.18 -24.55 64.86 Favored 'General case' 0 C--N 1.34 0.167 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -169.674 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -47.14 -36.06 8.0 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 123.514 0.725 . . . . 0.0 111.659 173.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -44.96 -42.97 8.68 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.282 0.633 . . . . 0.0 111.204 173.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 1.9 mp -83.29 46.49 1.14 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.071 0.949 . . . . 0.0 111.38 176.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 82.9 mttt 59.7 48.14 9.67 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.409 1.083 . . . . 0.0 109.732 170.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.235 0 CA-C-O 116.628 -2.207 . . . . 0.0 108.942 -169.876 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.8 mtt . . . . . 0 N--CA 1.476 0.828 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.98 76.49 0.08 Allowed 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 124.377 1.071 . . . . 0.0 109.538 176.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -46.12 -44.43 36.94 Favored Pre-proline 0 CA--C 1.535 0.377 0 C-N-CA 126.02 1.728 . . . . 0.0 114.238 -169.165 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -54.52 -54.78 4.04 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 122.191 1.927 . . . . 0.0 111.921 173.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 60.0 tp -60.8 -44.32 96.99 Favored 'General case' 0 C--O 1.224 -0.262 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 178.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -57.79 -47.16 83.35 Favored 'General case' 0 N--CA 1.455 -0.18 0 O-C-N 122.342 -0.224 . . . . 0.0 110.664 -177.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -59.5 -41.78 90.68 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 119.693 -0.194 . . . . 0.0 110.688 173.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.24 -51.52 67.41 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.199 0.454 . . . . 0.0 110.434 -178.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 20.2 mm -53.09 -53.29 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 124.33 1.052 . . . . 0.0 109.009 174.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.05 -51.37 25.29 Favored Glycine 0 CA--C 1.526 0.775 0 C-N-CA 123.941 0.781 . . . . 0.0 111.392 178.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.8 tt -59.42 -56.98 15.1 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.501 0.72 . . . . 0.0 109.981 178.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 54.9 mt -57.53 -49.14 77.32 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 123.445 0.698 . . . . 0.0 111.528 -174.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.5 mm -56.16 -55.85 16.32 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.29 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 173.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.91 -58.85 8.02 Favored Glycine 0 CA--C 1.525 0.678 0 C-N-CA 124.242 0.925 . . . . 0.0 111.712 -176.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.4 tt -59.93 -51.05 77.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 CA-C-N 117.487 0.644 . . . . 0.0 110.121 -178.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -57.83 -38.37 75.48 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.996 0.903 . . . . 0.0 111.125 -178.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -62.57 -33.93 75.94 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 124.035 0.934 . . . . 0.0 111.707 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.13 -50.44 72.81 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 119.876 1.216 . . . . 0.0 109.963 177.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -67.92 -43.89 78.14 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.195 -178.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.7 m -52.82 -47.47 67.66 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.215 0.531 . . . . 0.0 111.324 173.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.81 -43.15 99.62 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 126.261 1.886 . . . . 0.0 112.635 -170.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -77.28 47.0 0.53 Allowed 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 118.548 1.174 . . . . 0.0 112.716 -177.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -179.05 -41.14 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 129.445 3.098 . . . . 0.0 106.133 177.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.14 -63.31 4.34 Favored Glycine 0 C--N 1.338 0.676 0 C-N-CA 124.158 0.885 . . . . 0.0 111.185 169.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -76.74 63.73 2.21 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.398 0.679 . . . . 0.0 111.275 -173.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -150.52 -131.33 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.015 0.926 . . . . 0.0 110.148 169.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 35.6 p-80 151.23 -21.6 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 130.254 3.422 . . . . 0.0 108.53 -171.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 36.2 p -92.67 171.89 8.71 Favored 'General case' 0 N--CA 1.437 -1.076 0 N-CA-C 103.962 -2.607 . . . . 0.0 103.962 166.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.9 mt -99.29 145.31 27.44 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 107.243 -1.392 . . . . 0.0 107.243 168.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.9 p -99.65 158.99 15.37 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.87 0.868 . . . . 0.0 109.15 174.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -48.5 -37.74 18.34 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.01 0.524 . . . . 0.0 110.938 172.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -50.99 -46.23 61.33 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.765 0.826 . . . . 0.0 111.271 174.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -63.09 -43.46 98.44 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 118.069 0.395 . . . . 0.0 110.732 179.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.9 mt -59.97 -48.95 79.59 Favored 'General case' 0 C--O 1.225 -0.219 0 C-N-CA 120.314 -0.554 . . . . 0.0 109.896 177.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -58.58 -42.99 89.31 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 122.678 0.391 . . . . 0.0 110.504 179.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -57.29 -54.07 50.91 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.29 0.636 . . . . 0.0 109.923 174.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.3 tp -57.49 -51.49 69.24 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.018 0.527 . . . . 0.0 111.069 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.5 mp -52.17 -48.17 43.16 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 O-C-N 122.0 -0.437 . . . . 0.0 110.286 176.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -60.59 -39.42 88.02 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.925 0.784 . . . . 0.0 111.916 176.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -59.63 -48.59 81.08 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.359 0.663 . . . . 0.0 110.773 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -63.01 -35.0 78.76 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 120.871 0.367 . . . . 0.0 111.245 172.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 43.4 tp 65.27 -71.78 0.08 Allowed 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 128.865 2.866 . . . . 0.0 109.724 -177.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.2 t 177.88 39.57 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 127.816 2.447 . . . . 0.0 107.544 169.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 19.9 tt -153.67 -49.16 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 CA-C-O 118.159 -0.924 . . . . 0.0 111.068 -173.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 22.71 -89.44 0.01 OUTLIER Glycine 0 C--N 1.345 1.046 0 C-N-CA 127.121 2.296 . . . . 0.0 113.898 -176.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 71.8 m -149.07 54.44 0.98 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.164 0.985 . . . . 0.0 108.72 168.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.1 tptm 44.28 -80.88 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 129.048 2.939 . . . . 0.0 113.858 174.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.0 mp -53.85 -43.3 69.38 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 123.819 0.848 . . . . 0.0 108.918 175.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -52.07 -39.41 59.65 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.968 0.907 . . . . 0.0 111.523 174.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.41 -42.37 22.89 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-O 118.818 -0.611 . . . . 0.0 109.737 -176.123 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.29 -46.98 62.68 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 172.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -55.74 -50.09 71.33 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.817 173.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.0 mt -73.47 -33.34 39.58 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 C-N-CA 119.484 -0.887 . . . . 0.0 112.37 -171.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 65.1 t -65.72 -49.69 75.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 O-C-N 121.317 -0.864 . . . . 0.0 108.909 174.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -54.29 -48.46 71.24 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 174.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.3 tt -52.5 -60.99 2.57 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.282 0.633 . . . . 0.0 109.835 177.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -50.73 -56.96 9.58 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -178.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -49.8 -62.1 1.75 Allowed 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 122.654 0.381 . . . . 0.0 111.301 -178.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -68.71 -43.56 75.76 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -170.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 61.0 tp -64.19 -48.07 77.33 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.497 0.719 . . . . 0.0 110.347 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -72.91 -60.75 2.08 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 122.742 0.417 . . . . 0.0 110.031 -175.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.7 tpp180 59.86 -67.34 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.111 1.765 . . . . 0.0 112.327 -169.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -143.33 7.34 1.54 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.486 1.114 . . . . 0.0 112.31 171.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -76.61 46.76 0.46 Allowed 'General case' 0 CA--C 1.534 0.348 0 O-C-N 120.321 -1.487 . . . . 0.0 110.987 176.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -77.97 40.0 0.31 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.358 1.063 . . . . 0.0 110.645 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -134.06 -72.64 0.49 Allowed 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 125.861 1.664 . . . . 0.0 106.672 -174.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -140.27 144.01 36.22 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 125.963 1.705 . . . . 0.0 107.498 168.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 71.6 t -111.34 136.74 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 126.02 1.728 . . . . 0.0 106.634 172.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -92.54 142.7 27.11 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -173.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -48.53 -39.78 24.57 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.998 -0.439 . . . . 0.0 111.262 171.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -50.15 -43.88 52.28 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.609 -0.682 . . . . 0.0 111.371 172.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -69.81 -39.89 76.25 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 118.717 -0.659 . . . . 0.0 110.247 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -55.1 -48.76 73.14 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.082 0.856 . . . . 0.0 110.437 173.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 32.0 mm -59.06 -56.67 15.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 O-C-N 121.904 -0.497 . . . . 0.0 110.752 175.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 29.1 m -57.42 -38.72 74.8 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 121.812 -0.555 . . . . 0.0 110.401 -176.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -57.26 -45.51 83.95 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.422 1.489 . . . . 0.0 111.034 173.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.4 tt -54.55 -51.8 64.08 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 174.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.59 -53.32 17.24 Favored Glycine 0 CA--C 1.53 0.976 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.814 174.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.16 -53.5 57.35 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.154 0.982 . . . . 0.0 110.938 -178.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.7 mp -55.1 -51.01 67.73 Favored 'General case' 0 CA--C 1.527 0.083 0 O-C-N 122.093 -0.379 . . . . 0.0 110.398 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.31 -47.72 80.79 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 121.19 -0.204 . . . . 0.0 111.321 178.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 28.1 ttt -57.52 -42.31 82.56 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.827 0.851 . . . . 0.0 111.282 178.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 15.8 mm -66.94 -44.84 88.41 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 124.064 0.946 . . . . 0.0 110.4 177.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.9 m-30 -55.33 -44.61 76.05 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 174.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 67.01 -68.05 0.15 Allowed 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 126.457 1.903 . . . . 0.0 114.166 167.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -58.12 -50.88 71.93 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.539 0.736 . . . . 0.0 109.067 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.85 -52.1 63.86 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.16 176.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 33.9 tp -50.66 -60.3 3.18 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 123.069 0.547 . . . . 0.0 110.066 178.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -53.08 -50.0 65.29 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.282 1.033 . . . . 0.0 111.192 -177.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.209 0 CA-C-O 117.044 -1.976 . . . . 0.0 112.685 -175.651 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mmm . . . . . 0 N--CA 1.473 0.704 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 50.73 41.11 25.77 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.031 0.933 . . . . 0.0 110.305 -170.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 7.0 p -137.12 75.51 47.1 Favored Pre-proline 0 N--CA 1.449 -0.497 0 C-N-CA 126.182 1.793 . . . . 0.0 109.204 -169.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -74.91 71.35 4.96 Favored 'Trans proline' 0 N--CA 1.454 -0.794 0 C-N-CA 123.118 2.545 . . . . 0.0 109.288 178.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 14.2 tp -57.69 -32.95 67.85 Favored 'General case' 0 N--CA 1.454 -0.239 0 O-C-N 121.697 -0.627 . . . . 0.0 110.171 -177.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -53.0 -45.94 68.13 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.815 -0.553 . . . . 0.0 112.42 170.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.16 -37.82 86.58 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 176.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.63 -50.74 71.32 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 121.323 0.582 . . . . 0.0 110.198 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 68.5 mt -55.3 -47.47 77.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 124.571 1.148 . . . . 0.0 108.687 174.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.64 -48.93 35.02 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 123.88 0.753 . . . . 0.0 111.955 173.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.54 -52.41 65.67 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.529 0.732 . . . . 0.0 109.807 179.018 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -55.5 -52.07 64.91 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.909 0.884 . . . . 0.0 110.378 -179.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 24.1 mt -49.64 -51.8 14.3 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 C-N-CA 125.03 1.332 . . . . 0.0 109.822 172.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -47.48 -64.69 2.72 Favored Glycine 0 CA--C 1.523 0.563 0 C-N-CA 124.565 1.079 . . . . 0.0 110.849 178.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 6.6 tp -58.34 -48.31 85.36 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 CA-C-N 117.311 0.556 . . . . 0.0 110.609 -178.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -47.53 -55.21 9.63 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 122.723 0.409 . . . . 0.0 111.107 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . 0.276 1.0 OUTLIER -80.23 -1.26 39.83 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -174.691 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt -66.72 -53.41 33.74 Favored 'General case' 0 C--N 1.34 0.177 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 167.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -66.11 -47.76 73.12 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.456 172.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 2.0 m -99.75 43.17 1.07 Allowed 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.078 0.951 . . . . 0.0 111.879 -169.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -179.82 -61.59 0.08 OUTLIER Glycine 0 C--N 1.333 0.393 0 O-C-N 121.086 -1.009 . . . . 0.0 111.403 179.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -73.33 71.71 1.26 Allowed 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 177.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 63.74 -155.59 0.32 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.952 1.301 . . . . 0.0 108.23 -168.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.94 -78.81 0.5 Allowed Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -176.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -152.23 163.88 38.52 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.48 1.112 . . . . 0.0 108.56 177.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -99.73 97.17 8.14 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.048 0.939 . . . . 0.0 111.033 -168.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 61.18 9.25 2.37 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.92 1.288 . . . . 0.0 113.178 170.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 33.1 p -145.8 154.16 41.72 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 129.572 3.149 . . . . 0.0 102.831 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 60.9 tp -101.34 145.19 29.23 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 -172.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 21.8 p -92.94 152.45 19.35 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -53.63 -39.35 64.9 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 168.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -49.55 -63.41 1.11 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.136 0.574 . . . . 0.0 111.566 173.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.33 -33.41 71.46 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 121.661 -0.649 . . . . 0.0 111.137 -173.49 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 42.2 tp -58.38 -50.19 74.55 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.925 -0.484 . . . . 0.0 109.858 172.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -59.94 -40.26 88.37 Favored 'General case' 0 N--CA 1.456 -0.173 0 O-C-N 121.791 -0.568 . . . . 0.0 110.758 175.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -54.83 -57.45 11.52 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.987 0.812 . . . . 0.0 109.321 175.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 62.6 tp -52.31 -55.59 20.45 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.271 0.628 . . . . 0.0 110.231 178.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 73.0 mt -54.12 -50.77 52.58 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.132 0 C-N-CA 123.015 0.526 . . . . 0.0 110.068 -178.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -55.21 -46.02 75.89 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 119.157 -0.449 . . . . 0.0 110.614 178.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 5.0 mmtm -58.8 -55.54 33.76 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 118.699 0.681 . . . . 0.0 111.105 175.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -53.92 -38.26 64.67 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 122.085 -0.384 . . . . 0.0 111.91 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 52.8 tp -81.14 -51.23 8.68 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.826 0.85 . . . . 0.0 111.335 -170.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 63.4 m 28.4 -90.75 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 128.149 2.58 . . . . 0.0 113.342 -172.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 8.6 tp -50.49 -37.07 14.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 C-N-CA 123.808 0.843 . . . . 0.0 111.769 -177.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -80.86 12.61 34.95 Favored Glycine 0 CA--C 1.531 1.077 0 CA-C-O 118.958 -0.912 . . . . 0.0 113.86 -176.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 32.1 m -81.64 55.84 2.81 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 120.246 2.023 . . . . 0.0 111.764 -174.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -115.81 -131.65 0.32 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.671 0.789 . . . . 0.0 109.686 169.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 82.1 mt -56.1 -26.3 49.14 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.678 1.191 . . . . 0.0 112.242 -173.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 27.0 mp0 -43.99 -30.79 0.77 Allowed 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 125.394 1.478 . . . . 0.0 111.851 169.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -53.94 -31.17 49.5 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 119.666 1.121 . . . . 0.0 113.542 176.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.98 -45.96 82.57 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 119.471 1.032 . . . . 0.0 109.594 170.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -64.07 -36.37 83.79 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 118.301 -0.857 . . . . 0.0 110.01 172.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 41.2 mm -63.71 -44.17 98.28 Favored 'Isoleucine or valine' 0 C--N 1.344 0.34 0 CA-C-N 120.077 1.308 . . . . 0.0 110.714 177.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 70.7 t -57.21 -49.25 80.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-N 118.97 0.804 . . . . 0.0 109.48 175.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -54.75 -49.59 70.48 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 122.347 -0.221 . . . . 0.0 110.835 176.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 62.8 tp -56.99 -54.1 50.54 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.249 1.02 . . . . 0.0 110.017 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 85.7 mmm -52.32 -52.86 50.74 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.604 0.762 . . . . 0.0 110.15 178.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -54.49 -55.19 31.62 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 122.352 0.261 . . . . 0.0 110.483 178.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -53.07 -52.92 57.0 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.434 0.693 . . . . 0.0 111.083 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 97.0 mt -58.66 -39.3 80.23 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 122.669 0.387 . . . . 0.0 111.091 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -75.53 50.67 0.55 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.26 0.624 . . . . 0.0 112.682 -175.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -60.76 -30.51 70.06 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 121.14 -0.975 . . . . 0.0 109.014 168.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -50.24 -29.46 9.56 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.868 1.667 . . . . 0.0 112.799 169.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt 50.34 51.03 17.59 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.864 1.266 . . . . 0.0 111.055 -176.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -156.38 147.19 21.9 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 -177.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.05 -38.32 70.46 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.971 0.908 . . . . 0.0 110.863 176.263 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -93.05 104.1 16.34 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 174.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 27.8 m -93.06 146.18 6.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -87.83 159.46 18.4 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 121.541 -0.725 . . . . 0.0 110.051 -168.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -44.65 -41.69 6.88 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.934 1.294 . . . . 0.0 112.401 178.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 63.7 tp60 -53.87 -41.49 67.59 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.704 0.684 . . . . 0.0 111.368 175.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -63.47 -43.54 97.03 Favored 'General case' 0 N--CA 1.455 -0.222 0 O-C-N 121.505 -0.747 . . . . 0.0 109.211 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -58.98 -46.97 86.81 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 122.458 0.303 . . . . 0.0 110.846 174.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 13.7 mm -58.08 -46.98 88.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 O-C-N 121.555 -0.715 . . . . 0.0 110.444 176.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 13.2 m -59.76 -40.95 89.91 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.442 -0.787 . . . . 0.0 109.685 177.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -60.7 -41.42 95.17 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 119.114 -0.47 . . . . 0.0 111.046 173.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.9 tt -54.64 -50.24 68.62 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 173.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -49.87 -56.66 11.29 Favored Glycine 0 CA--C 1.526 0.78 0 C-N-CA 123.323 0.487 . . . . 0.0 112.126 174.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.71 -54.82 39.63 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 117.721 0.76 . . . . 0.0 110.914 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 49.7 tp -52.43 -47.95 66.04 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.682 1.193 . . . . 0.0 110.272 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.13 -49.86 76.27 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 122.179 -0.325 . . . . 0.0 110.886 175.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 91.0 mmm -61.61 -26.03 67.72 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.339 0.656 . . . . 0.0 112.677 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 87.0 mt -52.17 -37.28 22.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 CA-C-N 120.05 1.295 . . . . 0.0 109.336 169.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -91.48 26.2 2.37 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.847 0.859 . . . . 0.0 111.86 178.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -45.3 -40.15 7.37 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 124.46 1.104 . . . . 0.0 112.076 177.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -55.63 -47.91 75.82 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.149 0.58 . . . . 0.0 110.873 177.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.37 -45.44 46.95 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.192 0.597 . . . . 0.0 110.064 -178.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 6.4 tt -48.17 -56.96 6.59 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.689 1.196 . . . . 0.0 109.508 175.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -61.79 -63.87 1.12 Allowed 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 175.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.212 0 CA-C-O 117.249 -1.862 . . . . 0.0 109.487 -172.539 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.0 p . . . . . 0 N--CA 1.451 -0.382 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -51.75 -45.64 36.95 Favored 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 122.773 2.315 . . . . 0.0 111.224 168.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 60.9 tp -51.73 -58.78 5.41 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 123.484 0.713 . . . . 0.0 110.168 174.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -57.44 -46.97 82.99 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 111.477 0.177 . . . . 0.0 111.477 -177.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -54.63 -45.43 73.72 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 122.757 0.423 . . . . 0.0 110.248 175.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.88 -56.39 12.07 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 -174.038 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 18.4 pt -60.96 -41.05 87.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.35 -57.01 16.74 Favored Glycine 0 CA--C 1.526 0.733 0 C-N-CA 124.251 0.929 . . . . 0.0 111.068 176.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.7 mt -52.89 -48.81 66.89 Favored 'General case' 0 C--O 1.227 -0.126 0 CA-C-N 117.074 0.437 . . . . 0.0 110.206 175.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.0 tt -60.1 -57.38 13.07 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 120.515 0.198 . . . . 0.0 111.437 -175.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.8 pt -64.78 -38.24 82.21 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 O-C-N 121.527 -0.733 . . . . 0.0 110.612 -178.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.73 -58.85 12.11 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 111.059 -0.817 . . . . 0.0 111.059 177.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -59.51 -40.45 81.9 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 O-C-N 122.014 -0.698 . . . . 0.0 109.158 -178.354 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -53.61 -52.73 58.91 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.484 0.584 . . . . 0.0 111.552 171.108 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -59.43 -33.01 70.73 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 122.965 0.506 . . . . 0.0 111.11 -178.065 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -71.17 -61.52 1.74 Allowed 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 173.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -43.47 -47.08 7.06 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 125.699 1.6 . . . . 0.0 111.602 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.0 m -39.18 -38.48 0.5 Allowed 'General case' 0 C--O 1.238 0.456 0 C-N-CA 126.266 1.826 . . . . 0.0 113.612 176.159 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -150.18 77.71 0.23 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 109.099 -1.6 . . . . 0.0 109.099 175.056 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -52.29 -38.64 58.93 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 119.011 1.405 . . . . 0.0 109.977 170.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -47.97 -39.53 19.69 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.678 1.591 . . . . 0.0 113.032 170.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 174.65 117.94 0.49 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 104.645 -3.382 . . . . 0.0 104.645 -173.089 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -57.68 85.09 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -166.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -65.63 155.51 35.66 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.545 1.138 . . . . 0.0 108.737 168.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -93.59 -8.82 40.1 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.401 0.681 . . . . 0.0 111.697 -178.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.0 p -126.58 158.89 35.07 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 127.422 2.289 . . . . 0.0 105.037 175.191 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.2 tp -91.44 126.24 36.46 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 122.835 0.454 . . . . 0.0 109.973 -167.112 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.5 p -93.96 147.29 23.24 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 122.867 0.467 . . . . 0.0 111.785 -175.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -50.33 -40.95 50.42 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 123.2 0.6 . . . . 0.0 111.377 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -46.9 -57.26 5.13 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.156 0.582 . . . . 0.0 110.536 175.449 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -72.19 -37.24 69.33 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.493 -173.287 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 67.3 tp -53.38 -49.25 67.59 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 120.893 0.378 . . . . 0.0 110.305 170.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -65.23 -39.76 93.18 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.611 0.765 . . . . 0.0 110.512 -178.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -55.72 -53.2 59.57 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 121.378 -0.826 . . . . 0.0 110.464 170.28 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 66.2 tp -54.18 -50.7 66.43 Favored 'General case' 0 C--O 1.223 -0.309 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.0 mt -54.52 -54.17 24.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 C-N-CA 122.931 0.492 . . . . 0.0 110.101 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -55.27 -49.81 71.13 Favored 'General case' 0 CA--C 1.531 0.227 0 O-C-N 121.771 -0.581 . . . . 0.0 111.221 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -58.31 -50.87 72.09 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 120.838 0.351 . . . . 0.0 110.447 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 . . . . . 0 N--CA 1.45 -0.454 0 C-N-CA 124.686 1.194 . . . . 0.0 110.799 177.309 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 . . . . . 0 N--CA 1.451 -0.391 0 CA-C-O 119.053 -0.499 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.4 mt -68.88 -42.06 82.35 Favored 'Isoleucine or valine' 0 C--N 1.341 0.221 0 CA-C-N 119.216 0.916 . . . . 0.0 110.216 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 70.6 t -56.47 -52.66 50.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 175.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -54.18 -56.62 16.44 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 177.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 36.2 tp -47.46 -63.12 1.13 Allowed 'General case' 0 C--O 1.226 -0.17 0 C-N-CA 124.783 1.233 . . . . 0.0 109.326 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 49.3 ttp -55.8 -53.5 55.88 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 123.252 0.621 . . . . 0.0 110.213 -175.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -55.91 -53.91 51.12 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 122.221 0.208 . . . . 0.0 111.167 -178.016 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -65.85 -45.26 82.87 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 122.206 -0.309 . . . . 0.0 111.041 -175.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.5 tp -77.66 -55.56 5.25 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.832 0.853 . . . . 0.0 111.319 -169.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -84.09 67.63 9.77 Favored 'General case' 0 C--O 1.231 0.108 0 O-C-N 121.798 -0.564 . . . . 0.0 110.619 -169.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -75.08 72.63 2.21 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.273 0.559 . . . . 0.0 109.786 177.553 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 78.04 -53.87 0.5 Allowed 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 126.938 2.095 . . . . 0.0 109.577 -178.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -58.87 101.21 0.08 Allowed 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 170.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -126.1 -53.82 1.51 Allowed 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 125.053 1.341 . . . . 0.0 110.762 -172.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.444 ' NE2' ' H ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -44.59 -45.52 9.52 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 122.407 1.098 . . . . 0.0 111.423 173.439 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.444 ' H ' ' NE2' ' A' ' 66' ' ' GLN . 32.7 tt0 -142.86 138.7 30.48 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 105.185 -2.154 . . . . 0.0 105.185 169.396 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.1 t -119.44 142.14 36.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 C-N-CA 125.827 1.651 . . . . 0.0 107.794 -173.008 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -92.99 144.36 25.33 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 121.364 0.602 . . . . 0.0 110.879 -170.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -42.71 -42.81 3.65 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.186 1.394 . . . . 0.0 113.528 176.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -54.73 -43.62 72.82 Favored 'General case' 0 C--O 1.233 0.217 0 O-C-N 121.358 -0.839 . . . . 0.0 111.064 178.029 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -64.03 -46.04 86.23 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 -178.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -54.06 -46.08 71.87 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 122.773 0.429 . . . . 0.0 111.033 173.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 12.1 mm -58.4 -52.62 57.08 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 118.602 0.637 . . . . 0.0 110.741 177.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.1 p -59.28 -38.29 79.79 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 120.57 -1.331 . . . . 0.0 111.044 177.178 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -60.79 -38.98 87.16 Favored 'General case' 0 CA--C 1.529 0.172 0 O-C-N 121.96 -0.463 . . . . 0.0 111.31 173.363 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.2 tt -53.3 -52.65 58.41 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 173.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.51 -57.92 13.96 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 112.093 -0.403 . . . . 0.0 112.093 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.5 -43.72 80.01 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.432 0.693 . . . . 0.0 111.707 -177.096 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.2 tp -62.73 -58.75 6.38 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.679 0.792 . . . . 0.0 108.891 177.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -52.69 -38.09 60.01 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.476 0.71 . . . . 0.0 111.463 -178.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 46.0 tpp -50.66 -37.22 39.58 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.319 0.509 . . . . 0.0 112.095 175.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 46.5 mm -58.15 -32.77 45.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 O-C-N 121.37 -0.831 . . . . 0.0 110.66 178.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -75.0 7.39 3.27 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.752 0.821 . . . . 0.0 111.192 179.156 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -5.2 -68.06 0.0 OUTLIER 'General case' 0 C--N 1.345 0.383 0 C-N-CA 129.461 3.105 . . . . 0.0 115.767 175.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -56.12 -51.91 66.24 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 118.846 0.748 . . . . 0.0 110.682 -177.011 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.76 -38.07 76.63 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.156 0.582 . . . . 0.0 110.081 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 54.1 tp . . . . . 0 CA--C 1.532 0.263 0 C-N-CA 122.998 0.519 . . . . 0.0 110.972 179.38 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.537 0.468 0 N-CA-C 115.468 1.655 . . . . 0.0 115.468 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -59.88 -44.98 26.79 Favored 'Trans proline' 0 CA--C 1.535 0.526 0 C-N-CA 122.089 1.859 . . . . 0.0 111.644 178.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.65 -50.17 72.25 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 179.374 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -57.25 -40.95 78.69 Favored 'General case' 0 C--O 1.224 -0.272 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 177.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.69 -45.14 81.96 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 122.973 0.509 . . . . 0.0 110.117 172.706 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.51 -46.41 86.21 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.942 -0.474 . . . . 0.0 110.744 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 27.3 mm -53.98 -48.52 63.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 172.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.65 -52.67 24.07 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 125.018 1.294 . . . . 0.0 111.114 176.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 80.0 mt -59.15 -48.92 79.82 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 117.751 0.776 . . . . 0.0 111.039 176.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 6.0 tt -55.8 -49.21 73.81 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 118.431 0.559 . . . . 0.0 111.455 -178.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 16.9 mm -54.63 -51.19 53.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 C-N-CA 123.997 0.919 . . . . 0.0 108.794 171.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -41.03 -53.58 3.85 Favored Glycine 0 CA--C 1.526 0.746 0 C-N-CA 126.182 1.848 . . . . 0.0 111.534 174.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 44.5 mm -68.17 -62.99 1.03 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 118.016 0.908 . . . . 0.0 110.33 177.012 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -51.37 -47.84 62.7 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.439 0.696 . . . . 0.0 112.423 -168.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 11.4 p-80 -62.49 -25.92 68.26 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -172.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -59.95 -40.41 88.88 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 118.831 0.742 . . . . 0.0 109.84 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -73.88 -58.9 2.99 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 174.235 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.7 t -55.98 -33.29 64.69 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.154 0.582 . . . . 0.0 112.494 -169.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.92 -36.17 55.12 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 121.636 -0.665 . . . . 0.0 112.039 174.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 34.1 mtmm -77.59 66.5 3.32 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.655 -0.909 . . . . 0.0 110.353 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 65.61 22.82 11.71 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 126.421 1.888 . . . . 0.0 113.759 173.008 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.51 51.93 4.04 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 110.381 -1.088 . . . . 0.0 110.381 171.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -60.09 152.41 24.29 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.487 0.715 . . . . 0.0 110.425 -173.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt 66.56 20.57 10.81 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.954 1.302 . . . . 0.0 111.89 -176.147 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 9.6 m80 68.24 62.86 0.37 Allowed 'General case' 0 C--O 1.234 0.275 0 C-N-CA 124.73 1.212 . . . . 0.0 109.298 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 35.7 p -130.91 173.14 11.27 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 124.129 0.972 . . . . 0.0 109.39 -176.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 50.8 tp -128.61 102.05 6.43 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 129.434 3.094 . . . . 0.0 105.332 -177.165 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 94.1 p -92.52 167.15 12.14 Favored 'General case' 0 CA--C 1.529 0.152 0 O-C-N 121.954 -0.466 . . . . 0.0 111.867 -169.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.39 -46.92 13.52 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.758 1.223 . . . . 0.0 111.48 179.004 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -50.92 -57.83 7.54 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.195 0.998 . . . . 0.0 109.739 176.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -59.81 -42.93 94.58 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.924 -176.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 63.0 mt -56.5 -56.6 19.25 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 118.532 -0.747 . . . . 0.0 110.466 175.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -58.82 -38.39 78.52 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.873 1.215 . . . . 0.0 111.288 -176.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -59.54 -53.72 54.79 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 121.51 -0.744 . . . . 0.0 110.846 173.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 68.5 tp -54.08 -52.24 61.59 Favored 'General case' 0 C--O 1.225 -0.222 0 C-N-CA 122.727 0.411 . . . . 0.0 110.339 178.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 9.9 mm -50.52 -52.78 14.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 C-N-CA 124.47 1.108 . . . . 0.0 110.204 177.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -54.39 -50.9 66.45 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.051 0.387 . . . . 0.0 110.862 177.237 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.535 0.386 0 CA-C-N 118.021 0.373 . . . . 0.0 111.863 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 11.8 tp . . . . . 0 N--CA 1.455 -0.199 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -50.69 -55.38 16.84 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.07 0.548 . . . . 0.0 109.556 -176.67 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -54.96 -60.15 3.77 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 122.257 0.223 . . . . 0.0 111.184 179.086 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -56.27 -43.6 78.93 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 123.829 0.852 . . . . 0.0 111.437 -172.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 11.1 mp -76.31 -41.57 48.12 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 119.605 -0.236 . . . . 0.0 111.051 -178.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -78.26 60.15 2.45 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -171.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -80.74 64.18 5.42 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 105.013 -2.218 . . . . 0.0 105.013 165.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 69.67 -41.24 0.48 Allowed 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.817 2.047 . . . . 0.0 113.016 -173.353 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -70.45 23.7 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 -169.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -48.54 -32.36 7.89 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 120.105 1.32 . . . . 0.0 112.575 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' GLN . . . . . 0.412 ' NE2' ' H ' ' B' ' 66' ' ' GLN . 4.1 mp0 -58.3 -47.51 83.44 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 125.266 1.427 . . . . 0.0 111.074 179.622 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -146.62 93.6 2.31 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 126.015 1.726 . . . . 0.0 108.53 -178.111 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 90.9 t -92.08 141.96 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 N-CA-C 106.061 -1.829 . . . . 0.0 106.061 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -91.35 147.03 23.32 Favored 'General case' 0 C--N 1.332 -0.174 0 O-C-N 120.952 -1.092 . . . . 0.0 109.712 -171.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -42.12 -45.11 3.89 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 174.414 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -57.36 -33.54 67.89 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.153 -0.967 . . . . 0.0 111.959 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -71.34 -40.36 70.77 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 121.512 -0.743 . . . . 0.0 109.969 176.08 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -57.11 -45.92 83.04 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.857 -0.527 . . . . 0.0 110.41 171.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 22.8 mm -57.21 -48.43 82.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 O-C-N 121.29 -0.881 . . . . 0.0 110.697 172.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 29.4 m -55.94 -39.83 72.29 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 121.798 -0.564 . . . . 0.0 110.443 176.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -60.88 -42.81 98.68 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.325 0.65 . . . . 0.0 111.44 174.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 tt -53.06 -48.53 67.62 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 172.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.56 -57.65 8.17 Favored Glycine 0 CA--C 1.531 1.067 0 N-CA-C 111.471 -0.651 . . . . 0.0 111.471 170.287 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.04 -41.67 71.69 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 125.333 1.453 . . . . 0.0 112.04 -176.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 78.4 mt -56.62 -59.23 5.3 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 173.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.86 -39.93 75.22 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.997 -0.44 . . . . 0.0 111.374 -179.162 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 47.4 mtt -56.93 -14.01 3.17 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -178.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 2.0 pp -57.42 -18.95 9.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 CA-C-N 119.832 1.196 . . . . 0.0 112.065 169.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 12.8 m-30 -63.73 78.25 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.834 0.743 . . . . 0.0 109.877 169.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.92 151.88 6.21 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 124.341 1.056 . . . . 0.0 112.438 -176.592 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 66.57 -68.39 0.14 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 125.659 1.584 . . . . 0.0 110.091 -171.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -46.59 -50.01 18.07 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.901 1.281 . . . . 0.0 111.609 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 97.4 mt . . . . . 0 CA--C 1.531 0.217 0 C-N-CA 124.263 1.025 . . . . 0.0 109.709 173.093 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 CA--C 1.54 0.567 0 N-CA-C 115.267 1.581 . . . . 0.0 115.267 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -55.2 -50.64 12.37 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 122.265 1.977 . . . . 0.0 112.6 177.271 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.8 mp -60.66 -42.81 97.77 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -60.15 -54.63 43.54 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 122.398 0.279 . . . . 0.0 110.804 -177.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -63.83 -33.21 75.16 Favored 'General case' 0 CA--C 1.531 0.212 0 O-C-N 122.072 -0.392 . . . . 0.0 110.723 178.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.4 -51.91 63.83 Favored 'General case' 0 C--N 1.34 0.162 0 CA-C-N 118.398 0.545 . . . . 0.0 109.75 178.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.2 mm -49.67 -59.02 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.339 0.152 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 172.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.52 -54.97 9.82 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.649 -0.58 . . . . 0.0 111.649 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.26 -57.81 10.04 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.532 0.733 . . . . 0.0 110.197 -176.747 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 55.8 mt -61.68 -49.42 76.57 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 123.117 0.567 . . . . 0.0 111.066 -173.271 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.2 mp -70.37 -33.91 55.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -178.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.11 -54.39 31.89 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 170.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.9 mt -52.57 -51.86 31.14 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 117.532 0.666 . . . . 0.0 109.51 175.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -51.09 -46.3 61.76 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 121.205 0.526 . . . . 0.0 110.885 176.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 54.6 m80 -70.25 -10.94 60.41 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -57.15 -38.96 74.3 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 120.698 1.59 . . . . 0.0 108.098 167.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -81.63 -70.07 0.57 Allowed 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.154 0.982 . . . . 0.0 110.421 170.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.8 m -68.2 -5.95 20.86 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 -168.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.06 -36.38 93.38 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.366 -1.094 . . . . 0.0 110.366 169.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -63.0 -50.42 70.82 Favored 'General case' 0 C--N 1.341 0.209 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 172.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -81.03 54.2 2.16 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 122.78 0.432 . . . . 0.0 110.902 178.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.79 158.79 23.59 Favored Glycine 0 CA--C 1.531 1.078 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 175.03 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . 0.29 0.7 OUTLIER 68.69 -44.3 0.52 Allowed 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 126.56 1.944 . . . . 0.0 113.124 -175.74 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -71.49 -50.74 28.55 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 171.079 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 53.85 53.06 11.87 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.097 1.359 . . . . 0.0 110.65 -176.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.9 p -134.68 172.91 12.28 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 127.621 2.369 . . . . 0.0 105.985 174.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.6 tt -124.44 105.7 9.62 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.757 1.223 . . . . 0.0 108.136 -171.043 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.8 p -92.79 167.83 11.6 Favored 'General case' 0 N--CA 1.462 0.174 0 O-C-N 120.861 -1.149 . . . . 0.0 111.39 -173.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.7 pttt -33.46 -40.05 0.06 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.616 1.966 . . . . 0.0 114.714 172.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -61.8 -56.75 16.2 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.855 0.836 . . . . 0.0 110.279 177.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.4 mp0 -62.16 -39.6 93.17 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 124.215 1.006 . . . . 0.0 110.204 178.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.0 tp -58.27 -52.91 63.6 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 176.281 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -53.73 -49.09 68.9 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 177.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 54.1 tt0 -51.98 -56.62 13.11 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 122.644 0.378 . . . . 0.0 110.886 177.036 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 49.3 tp -55.29 -59.23 5.08 Favored 'General case' 0 N--CA 1.458 -0.049 0 C-N-CA 123.768 0.827 . . . . 0.0 110.301 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 33.9 mm -53.37 -51.66 38.98 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 C-N-CA 123.766 0.826 . . . . 0.0 109.265 -177.124 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -52.08 -50.0 62.45 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.453 0.701 . . . . 0.0 110.609 177.435 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -59.77 -46.13 90.13 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 117.845 0.293 . . . . 0.0 111.349 178.454 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 . . . . . 0 CA--C 1.535 0.37 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 178.173 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 . . . . . 0 CA--C 1.538 0.51 0 CA-C-O 118.886 -0.578 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.5 mm -66.4 -42.99 91.38 Favored 'Isoleucine or valine' 0 C--N 1.343 0.313 0 CA-C-N 119.854 1.207 . . . . 0.0 109.998 175.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 92.7 t -58.12 -46.68 88.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 O-C-N 121.493 -0.754 . . . . 0.0 109.981 173.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -56.39 -46.27 80.2 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.912 -0.493 . . . . 0.0 110.448 176.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.1 tp -57.58 -50.43 73.14 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 122.864 0.466 . . . . 0.0 110.171 176.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.1 ttt -52.68 -50.0 64.15 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 122.881 0.473 . . . . 0.0 110.145 178.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -57.85 -53.47 57.9 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 122.648 0.379 . . . . 0.0 111.082 176.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -51.12 -47.54 61.95 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 123.816 0.846 . . . . 0.0 111.005 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.97 -58.55 6.4 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 176.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -68.74 -15.41 63.5 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -169.387 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 32.3 ptt-85 -18.12 -58.18 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 128.013 2.525 . . . . 0.0 116.284 -172.342 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -85.24 44.12 1.06 Allowed 'General case' 0 CA--C 1.535 0.401 0 O-C-N 120.916 -1.115 . . . . 0.0 110.061 -174.382 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 74.7 tttt 43.3 32.74 0.51 Allowed 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.588 1.555 . . . . 0.0 110.966 -168.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -84.0 72.3 10.46 Favored 'General case' 0 C--O 1.224 -0.26 0 O-C-N 121.379 -0.825 . . . . 0.0 110.389 -168.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -23.88 13.42 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.87 0.868 . . . . 0.0 112.357 171.399 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -103.8 103.75 13.66 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 105.443 -2.058 . . . . 0.0 105.443 167.034 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.9 t -91.27 131.53 38.15 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 -170.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -92.2 139.09 30.97 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 106.471 -1.678 . . . . 0.0 106.471 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -39.4 -35.64 0.29 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.351 1.861 . . . . 0.0 113.145 172.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -51.09 -39.13 55.37 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 120.677 -1.264 . . . . 0.0 112.743 172.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.03 -36.92 83.16 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 120.946 -1.097 . . . . 0.0 111.173 174.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -60.85 -44.5 96.92 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 173.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.4 mp -56.15 -47.2 80.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 O-C-N 121.801 -0.562 . . . . 0.0 110.703 170.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.7 m -56.25 -47.64 78.11 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -51.46 -52.32 47.39 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.595 1.158 . . . . 0.0 110.765 172.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.1 tp -56.5 -52.38 64.95 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -51.51 -55.52 19.53 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 178.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.23 -55.86 29.22 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.355 0.662 . . . . 0.0 111.142 -178.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -60.27 -39.48 87.0 Favored 'General case' 0 CA--C 1.527 0.077 0 C-N-CA 122.748 0.419 . . . . 0.0 111.075 -175.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.45 -55.54 15.19 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 121.818 -0.551 . . . . 0.0 110.38 174.121 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 16.4 tpt -54.8 -43.76 73.17 Favored 'General case' 0 CA--C 1.528 0.105 0 C-N-CA 124.239 1.016 . . . . 0.0 111.631 -172.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.4 tp -60.59 -25.09 33.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-O 119.403 -0.332 . . . . 0.0 111.491 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -77.91 53.47 1.16 Allowed 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.095 -1.003 . . . . 0.0 109.732 171.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -49.31 -47.79 46.76 Favored 'General case' 0 CA--C 1.527 0.066 0 C-N-CA 125.321 1.448 . . . . 0.0 111.532 -170.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -62.82 -41.92 99.51 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.364 0.666 . . . . 0.0 110.406 -178.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.79 -41.73 82.72 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.3 tt . . . . . 0 N--CA 1.453 -0.325 0 C-N-CA 123.072 0.549 . . . . 0.0 110.314 179.028 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 15.3 m . . . . . 0 CA--C 1.532 0.271 0 N-CA-C 106.601 -1.629 . . . . 0.0 106.601 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -38.76 -55.04 1.45 Allowed 'Trans proline' 0 N--CA 1.459 -0.552 1 C-N-CA 125.328 4.019 . . . . 0.0 115.354 -169.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -57.37 -42.32 81.88 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.862 -0.524 . . . . 0.0 112.297 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -71.3 -46.9 59.67 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 122.975 0.51 . . . . 0.0 109.734 -177.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -48.91 -49.11 41.58 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.297 0.639 . . . . 0.0 109.309 171.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.47 -57.25 8.72 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.75 0.42 . . . . 0.0 111.079 -174.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 13.2 tt -62.73 -39.52 85.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 120.728 -0.389 . . . . 0.0 109.992 -177.364 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.18 -53.18 46.68 Favored Glycine 0 CA--C 1.528 0.883 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 174.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -52.82 -54.83 28.66 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.899 0.879 . . . . 0.0 109.256 177.155 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 tt -53.91 -52.73 59.62 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.232 0.613 . . . . 0.0 110.796 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 60.9 mt -55.26 -52.74 42.35 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.233 0 C-N-CA 123.376 0.67 . . . . 0.0 109.878 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.96 -54.64 33.89 Favored Glycine 0 CA--C 1.529 0.932 0 N-CA-C 111.289 -0.724 . . . . 0.0 111.289 -178.246 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.6 mp -59.77 -43.56 91.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 O-C-N 122.088 -0.654 . . . . 0.0 110.084 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -60.02 -50.04 75.29 Favored 'General case' 0 N--CA 1.457 -0.097 0 CA-C-N 118.887 0.767 . . . . 0.0 110.946 177.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -52.17 -42.31 63.33 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.092 0.957 . . . . 0.0 109.974 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -70.5 -60.21 2.4 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -58.93 -38.16 78.34 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 125.022 1.329 . . . . 0.0 111.42 -169.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 10.8 t -72.56 58.77 0.43 Allowed 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.558 1.143 . . . . 0.0 109.547 171.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 44.42 44.45 8.02 Favored Glycine 0 CA--C 1.529 0.924 0 C-N-CA 125.628 1.585 . . . . 0.0 113.746 174.217 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 20.1 mtmm 54.44 31.1 14.0 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.972 0.909 . . . . 0.0 112.072 -178.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 64.59 -60.98 0.21 Allowed 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 128.104 2.562 . . . . 0.0 114.561 178.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -36.27 105.53 0.03 OUTLIER Glycine 0 CA--C 1.53 1.031 0 C-N-CA 125.14 1.352 . . . . 0.0 112.922 -171.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 23.8 t70 72.06 -55.38 0.67 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.865 1.666 . . . . 0.0 111.568 -174.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -74.58 56.56 0.69 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.546 0.738 . . . . 0.0 111.417 178.235 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -77.28 19.08 0.35 Allowed 'General case' 0 CA--C 1.539 0.544 0 O-C-N 120.823 -1.173 . . . . 0.0 112.147 -177.435 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 68.1 p -146.58 170.4 16.98 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 126.539 1.936 . . . . 0.0 106.424 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 10.9 mp -91.65 105.54 17.81 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 106.514 -1.661 . . . . 0.0 106.514 176.107 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 8.7 t -94.33 175.37 6.71 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.119 1.368 . . . . 0.0 110.595 173.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -26.82 -64.68 0.07 Allowed 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 128.127 2.571 . . . . 0.0 114.157 -171.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -58.88 -53.34 59.49 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 118.116 0.416 . . . . 0.0 110.071 -174.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -54.84 -46.06 74.57 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.506 0.722 . . . . 0.0 110.321 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.19 -57.9 9.77 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.245 0.618 . . . . 0.0 110.354 -178.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -53.92 -46.82 71.58 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 123.104 0.562 . . . . 0.0 110.352 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 52.0 tt0 -57.11 -47.96 79.79 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.508 0.723 . . . . 0.0 109.914 177.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 39.8 tp -60.59 -56.05 25.98 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -176.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 31.3 pt -60.08 -47.55 91.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.354 -174.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -64.67 -37.84 88.95 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 118.981 0.81 . . . . 0.0 111.051 -177.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? . . . . . 0 N--CA 1.455 -0.214 0 CA-C-N 118.159 0.436 . . . . 0.0 110.579 175.93 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 7.3 mp . . . . . 0 N--CA 1.454 -0.226 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -47.11 -59.42 3.15 Favored 'General case' 0 C--O 1.225 -0.215 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 177.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -53.21 -54.8 30.77 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.838 0.455 . . . . 0.0 111.163 178.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -58.02 -40.11 80.01 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.991 0.916 . . . . 0.0 112.643 -173.415 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -80.23 -43.32 21.62 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.655 0.662 . . . . 0.0 110.501 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -54.6 -59.71 4.34 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 124.455 1.102 . . . . 0.0 111.508 -178.115 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 70.66 -59.53 0.53 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.447 1.499 . . . . 0.0 109.972 -168.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -168.89 -39.88 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.36 1.464 . . . . 0.0 111.054 179.005 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 7.6 pttm -56.96 -34.46 68.08 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -170.053 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 16.2 t70 60.34 -70.2 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 127.784 2.434 . . . . 0.0 113.283 177.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.5 23.29 0.12 Allowed 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -168.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -147.09 97.82 2.94 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 125.025 1.33 . . . . 0.0 107.986 171.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 90.1 t -115.57 117.03 54.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 N-CA-C 106.198 -1.778 . . . . 0.0 106.198 168.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -90.45 159.63 16.45 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 123.215 0.606 . . . . 0.0 109.914 -169.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -43.78 -48.41 8.13 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.183 0.593 . . . . 0.0 112.255 174.364 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -51.44 -47.91 62.89 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 121.852 -0.53 . . . . 0.0 110.578 174.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -66.29 -33.15 75.09 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 123.044 0.538 . . . . 0.0 110.538 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -58.82 -47.89 83.23 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 118.829 0.74 . . . . 0.0 110.156 172.27 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -62.4 -44.92 99.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 C-N-CA 119.677 -0.809 . . . . 0.0 109.679 177.562 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 22.6 m -56.23 -37.52 69.83 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.836 -0.54 . . . . 0.0 111.312 174.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -62.07 -50.04 73.55 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 124.236 1.015 . . . . 0.0 109.524 176.308 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 5.8 tt -52.2 -52.21 53.6 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.376 0.67 . . . . 0.0 109.279 174.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.88 -59.91 7.57 Favored Glycine 0 CA--C 1.524 0.642 0 C-N-CA 124.044 0.83 . . . . 0.0 111.504 176.012 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.82 -41.41 67.33 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 125.088 1.355 . . . . 0.0 111.255 -178.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 51.2 tp -63.57 -55.61 22.47 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.55 -41.51 75.82 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 113.383 0.882 . . . . 0.0 113.383 -174.532 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 3.7 ppp? -57.24 -19.91 24.19 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -168.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 10.6 pt -61.56 -35.81 69.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-N 118.638 0.654 . . . . 0.0 110.304 174.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 63.44 165.99 0.13 Allowed 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 126.077 1.751 . . . . 0.0 113.243 -177.006 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 48.8 t30 60.81 -76.65 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 125.296 1.438 . . . . 0.0 109.979 -168.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -68.62 166.43 17.21 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 168.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 69.23 -60.75 0.45 Allowed 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 125.812 1.645 . . . . 0.0 109.918 -169.251 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 9.7 mp . . . . . 0 CA--C 1.534 0.357 0 C-N-CA 123.99 0.916 . . . . 0.0 109.253 170.76 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.0 p . . . . . 0 CA--C 1.538 0.492 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -49.6 -42.87 41.58 Favored 'Trans proline' 0 N--CA 1.457 -0.673 0 C-N-CA 122.432 2.088 . . . . 0.0 111.8 169.308 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.9 tt -60.94 -51.72 68.07 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 122.826 0.45 . . . . 0.0 110.162 176.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -58.53 -46.35 86.98 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 120.693 0.283 . . . . 0.0 111.088 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -52.73 -48.28 66.78 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 122.937 0.495 . . . . 0.0 110.002 172.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.03 -51.95 64.78 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 122.307 0.243 . . . . 0.0 110.807 -173.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.2 pt -61.66 -39.66 84.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.02 177.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.03 -54.93 23.68 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.46 -0.656 . . . . 0.0 111.46 174.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.5 mp -56.26 -51.52 67.85 Favored 'General case' 0 N--CA 1.454 -0.228 0 O-C-N 122.221 -0.576 . . . . 0.0 109.861 175.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 69.3 tp -52.61 -55.17 24.27 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 118.295 0.498 . . . . 0.0 112.112 -178.173 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.1 pt -60.34 -41.17 86.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-O 119.005 -0.522 . . . . 0.0 109.772 -178.062 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -52.95 -54.51 28.35 Favored Glycine 0 CA--C 1.533 1.163 0 N-CA-C 111.61 -0.596 . . . . 0.0 111.61 171.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.5 mp -53.25 -50.45 46.89 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 C-N-CA 124.194 0.997 . . . . 0.0 110.06 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -57.24 -50.47 72.79 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.437 0.637 . . . . 0.0 110.423 177.146 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -56.21 -31.42 63.47 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 123.999 0.92 . . . . 0.0 111.751 -177.26 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -48.93 -49.08 41.92 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 119.381 0.992 . . . . 0.0 110.379 173.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -76.75 -63.45 1.35 Allowed 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.517 -0.919 . . . . 0.0 108.517 -177.255 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.0 m -55.34 -39.38 69.94 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.45 0.7 . . . . 0.0 112.539 -172.344 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -47.75 -44.18 23.51 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 124.29 0.948 . . . . 0.0 112.031 177.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -62.93 -23.38 67.35 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 118.014 0.907 . . . . 0.0 112.431 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -103.41 7.39 38.04 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.072 0.949 . . . . 0.0 110.985 175.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.99 115.94 0.09 OUTLIER Glycine 0 CA--C 1.529 0.933 0 N-CA-C 107.76 -2.136 . . . . 0.0 107.76 -168.107 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -77.18 61.46 2.09 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 118.344 1.072 . . . . 0.0 112.589 -172.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.3 pttm -78.98 51.36 1.12 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.072 1.349 . . . . 0.0 108.875 169.089 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 46.08 46.92 12.98 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 126.281 1.832 . . . . 0.0 112.726 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.2 t -147.09 164.59 32.57 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 121.715 -0.616 . . . . 0.0 109.673 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.7 tt -142.46 118.75 10.82 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 104.46 -2.422 . . . . 0.0 104.46 172.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.8 t -116.86 168.97 9.75 Favored 'General case' 0 N--CA 1.462 0.126 0 C-N-CA 123.962 0.905 . . . . 0.0 111.43 -169.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.7 tttp -21.56 -60.96 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 129.465 3.106 . . . . 0.0 114.007 -175.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -52.55 -60.89 2.69 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.106 0.962 . . . . 0.0 110.316 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -67.0 -27.92 67.83 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 119.095 -0.478 . . . . 0.0 111.453 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.53 -53.75 53.71 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 174.82 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -55.34 -52.82 62.26 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 123.451 0.7 . . . . 0.0 110.139 177.312 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -53.82 -49.65 67.92 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 110.585 -0.154 . . . . 0.0 110.585 177.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.9 tp -53.95 -59.83 4.12 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 118.294 -0.86 . . . . 0.0 109.595 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 38.6 pt -58.04 -43.64 85.52 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 CA-C-N 119.387 0.994 . . . . 0.0 110.73 -176.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.2 tp60 -58.84 -48.86 79.86 Favored 'General case' 0 N--CA 1.453 -0.307 0 O-C-N 122.17 -0.331 . . . . 0.0 111.39 -178.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -76.26 -35.09 59.11 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.583 0.353 . . . . 0.0 110.905 -176.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 . . . . . 0 CA--C 1.532 0.259 0 C-N-CA 124.535 1.134 . . . . 0.0 110.645 172.319 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 . . . . . 0 CA--C 1.536 0.415 0 CA-C-O 119.117 -0.468 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.4 mp -62.51 -44.71 99.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-N 119.538 1.063 . . . . 0.0 109.703 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 42.2 t -58.49 -46.09 89.84 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 C-N-CA 123.712 0.805 . . . . 0.0 109.846 176.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -56.61 -45.48 81.46 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 122.118 -0.363 . . . . 0.0 110.488 175.472 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 31.0 tp -58.63 -50.62 73.16 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.247 0.476 . . . . 0.0 110.135 177.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.6 mmm -49.15 -56.42 9.26 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.282 0.633 . . . . 0.0 110.206 174.175 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -57.67 -43.49 85.06 Favored 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 123.418 0.687 . . . . 0.0 111.049 -178.524 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -60.96 -50.13 74.65 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.526 0.603 . . . . 0.0 111.102 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.98 -45.72 76.81 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.367 0.267 . . . . 0.0 111.071 -178.317 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -66.62 -56.89 8.61 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 123.563 0.745 . . . . 0.0 110.78 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . 0.324 24.0 ptt-85 54.23 -57.89 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 129.891 3.276 . . . . 0.0 115.858 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -61.16 -58.22 9.24 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 119.094 0.861 . . . . 0.0 110.343 177.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? 73.07 -44.81 0.6 Allowed 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 125.229 1.412 . . . . 0.0 113.639 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -68.13 74.8 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 124.35 1.06 . . . . 0.0 109.125 171.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -169.86 179.95 3.47 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 122.578 1.18 . . . . 0.0 111.269 -169.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -112.73 129.27 56.47 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 103.01 -2.959 . . . . 0.0 103.01 167.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 62.2 t -106.76 135.28 45.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 105.543 -2.021 . . . . 0.0 105.543 172.166 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -91.73 151.97 20.39 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 119.1 0.864 . . . . 0.0 109.166 -177.332 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -42.13 -44.05 3.52 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.919 1.288 . . . . 0.0 113.0 177.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -64.64 -32.82 74.66 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.576 1.08 . . . . 0.0 111.406 -179.05 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -69.09 -44.83 71.71 Favored 'General case' 0 C--N 1.339 0.118 0 O-C-N 120.862 -1.149 . . . . 0.0 110.004 173.267 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -50.72 -48.93 58.72 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 121.144 0.497 . . . . 0.0 110.037 174.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 12.0 mm -59.56 -53.8 43.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 124.341 1.056 . . . . 0.0 111.304 177.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 64.9 m -53.55 -44.7 69.46 Favored 'General case' 0 C--O 1.237 0.438 0 O-C-N 121.753 -0.592 . . . . 0.0 110.032 179.01 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -61.7 -43.45 98.83 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.813 1.245 . . . . 0.0 110.855 175.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.22 -46.16 68.98 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 174.467 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.71 -59.44 10.25 Favored Glycine 0 CA--C 1.529 0.918 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 174.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.17 -49.45 66.62 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 122.865 0.466 . . . . 0.0 111.648 -177.253 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 24.5 tp -52.72 -63.65 1.07 Allowed 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 125.774 1.63 . . . . 0.0 109.786 174.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.9 -32.7 67.98 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 123.539 0.735 . . . . 0.0 111.725 -174.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 12.0 tpt -59.05 -14.07 8.59 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.862 -0.524 . . . . 0.0 112.381 176.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 14.7 tt -49.48 -31.68 5.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-N 119.456 1.025 . . . . 0.0 111.306 169.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -75.41 57.19 0.9 Allowed 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.519 -0.738 . . . . 0.0 110.681 172.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.36 24.27 0.14 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.921 1.288 . . . . 0.0 113.407 -172.308 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.84 -39.73 1.94 Allowed 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 126.709 2.004 . . . . 0.0 109.289 177.55 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.03 -44.5 80.09 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 167.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.0 mp . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 104.71 -2.33 . . . . 0.0 104.71 168.189 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.537 0.454 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -57.94 -43.21 50.74 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 122.359 2.039 . . . . 0.0 111.951 176.219 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 10.0 tt -62.86 -50.06 72.4 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 178.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -55.71 -47.0 77.6 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 122.144 -0.347 . . . . 0.0 111.357 177.317 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.86 -40.52 76.28 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 122.947 0.499 . . . . 0.0 110.192 175.122 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.17 -48.71 77.24 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 119.254 -0.403 . . . . 0.0 110.066 178.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 50.3 mm -51.83 -55.83 8.01 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 174.23 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.73 -51.93 26.85 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 124.101 0.857 . . . . 0.0 111.487 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 53.9 tp -60.47 -49.37 77.84 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 122.323 -0.516 . . . . 0.0 110.426 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 30.9 mt -58.07 -52.02 67.27 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 123.096 0.558 . . . . 0.0 111.406 -178.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 27.1 pt -59.67 -40.85 83.38 Favored 'Isoleucine or valine' 0 C--N 1.34 0.18 0 C-N-CA 119.885 -0.726 . . . . 0.0 109.576 176.059 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -48.5 -56.9 8.86 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 123.618 0.628 . . . . 0.0 111.746 172.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.6 mp -56.38 -54.62 25.94 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 C-N-CA 123.655 0.782 . . . . 0.0 109.568 178.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' PHE . . . . . 0.462 ' CE1' HD13 ' B' ' 29' ' ' LEU . 58.2 t80 -54.5 -41.85 70.08 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.015 0.436 . . . . 0.0 110.657 -177.712 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -69.81 -14.5 62.79 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.091 1.356 . . . . 0.0 112.744 -177.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -61.18 -59.77 4.81 Favored 'General case' 0 C--N 1.342 0.279 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 169.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -65.79 -63.48 1.08 Allowed 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.7 m -75.48 65.63 1.76 Allowed 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 123.32 0.648 . . . . 0.0 109.938 176.129 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 158.4 -65.75 0.29 Allowed Glycine 0 C--N 1.333 0.414 0 CA-C-N 118.275 0.489 . . . . 0.0 113.768 169.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm -71.42 -38.67 71.37 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 117.57 0.685 . . . . 0.0 110.545 -174.05 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -97.17 -49.26 5.04 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.367 1.067 . . . . 0.0 110.202 -175.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -129.2 -171.72 13.02 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -62.97 139.63 58.78 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.154 0.982 . . . . 0.0 111.092 -169.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 44.8 pttt -77.99 59.35 2.14 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 -173.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -131.29 -79.8 0.52 Allowed 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.404 1.081 . . . . 0.0 110.726 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 17.8 p -144.99 169.89 17.22 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 124.598 1.159 . . . . 0.0 108.873 -167.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.462 HD13 ' CE1' ' B' ' 16' ' ' PHE . 4.2 mp -88.34 73.87 8.75 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 105.168 -2.16 . . . . 0.0 105.168 -176.178 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.73 171.34 8.94 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 126.75 2.02 . . . . 0.0 107.763 -175.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 57.2 mttm -33.26 -55.68 0.41 Allowed 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 -170.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -56.32 -54.77 41.51 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.29 0.567 . . . . 0.0 111.157 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 23.0 mp0 -62.19 -42.31 99.17 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.826 0.85 . . . . 0.0 109.516 -177.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.11 -51.17 68.99 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 123.291 0.636 . . . . 0.0 109.949 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -57.59 -45.86 84.75 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 121.844 -0.535 . . . . 0.0 110.399 177.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -53.37 -53.8 45.84 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 120.609 0.243 . . . . 0.0 110.348 173.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.5 tt -54.23 -50.96 65.96 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.423 0.689 . . . . 0.0 110.613 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 85.3 mt -52.66 -51.55 34.31 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.13 0 C-N-CA 123.455 0.702 . . . . 0.0 109.574 176.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -58.63 -49.43 77.52 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.286 0.494 . . . . 0.0 111.025 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp . . . . . 0 CA--C 1.533 0.324 0 CA-C-N 118.397 0.544 . . . . 0.0 111.37 -179.737 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 7.8 tt . . . . . 0 C--O 1.234 0.283 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -62.48 -36.85 83.79 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -177.482 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -67.76 -48.09 67.37 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 118.082 0.401 . . . . 0.0 110.265 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -56.22 -37.35 69.57 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.728 0.811 . . . . 0.0 110.738 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 23.0 tp -68.71 -70.45 0.27 Allowed 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.308 0.575 . . . . 0.0 109.743 169.298 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -84.11 62.98 7.41 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.246 0.619 . . . . 0.0 110.29 -170.015 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 37.9 mtp85 -54.63 -40.02 68.52 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.532 0.733 . . . . 0.0 111.137 -174.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -79.64 -4.63 52.54 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.714 0.806 . . . . 0.0 112.673 -177.208 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt 69.96 3.89 4.54 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.519 1.528 . . . . 0.0 113.687 -177.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -165.52 137.59 4.12 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 104.981 -2.229 . . . . 0.0 104.981 168.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -162.59 165.5 25.83 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 119.04 0.836 . . . . 0.0 108.788 -170.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -119.08 95.24 4.73 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 106.283 -1.747 . . . . 0.0 106.283 168.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 94.3 t -92.79 114.73 30.15 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 -169.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -89.97 158.79 17.22 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 173.076 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -50.1 -41.42 48.34 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.308 1.043 . . . . 0.0 112.45 -170.416 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -64.11 -36.52 84.31 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.603 -0.685 . . . . 0.0 111.939 176.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -67.51 -45.99 74.2 Favored 'General case' 0 C--N 1.339 0.128 0 CA-C-N 119.857 1.208 . . . . 0.0 109.641 175.257 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -50.2 -49.91 51.09 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 120.908 0.385 . . . . 0.0 110.185 174.3 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.37 -46.78 89.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 O-C-N 121.94 -0.475 . . . . 0.0 110.617 -178.605 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 72.2 m -56.19 -43.89 78.9 Favored 'General case' 0 C--O 1.236 0.359 0 O-C-N 121.216 -0.927 . . . . 0.0 109.889 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -56.47 -44.44 80.57 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.412 1.085 . . . . 0.0 110.938 170.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.61 -48.45 69.27 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 175.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.24 -54.85 27.31 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.659 -0.576 . . . . 0.0 111.659 175.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.84 -52.26 63.32 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 117.547 0.674 . . . . 0.0 111.177 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 38.8 tp -53.86 -55.21 28.8 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.752 1.621 . . . . 0.0 110.326 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.43 -42.44 87.32 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.636 178.191 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 48.1 ttm -62.9 -46.2 88.94 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.927 -0.483 . . . . 0.0 111.419 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 20.9 tt -65.36 -34.67 72.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 118.667 0.667 . . . . 0.0 110.551 175.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 19.7 m-30 -74.65 59.58 0.86 Allowed 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 122.557 1.17 . . . . 0.0 109.357 168.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -65.21 -47.58 76.38 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.362 -169.193 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 45.6 mp0 -76.22 53.9 0.85 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.576 1.55 . . . . 0.0 110.034 176.403 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -170.28 -49.53 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 127.301 2.24 . . . . 0.0 106.51 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 31.7 tp . . . . . 0 CA--C 1.532 0.264 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 168.978 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 CA--C 1.537 0.468 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -55.22 -41.16 81.18 Favored 'Trans proline' 0 CA--C 1.537 0.654 0 C-N-CA 121.834 1.689 . . . . 0.0 113.517 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.79 -53.32 48.86 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -64.44 -32.26 73.81 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 120.514 -0.474 . . . . 0.0 111.751 -178.468 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -63.63 -42.72 98.14 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.224 0.61 . . . . 0.0 110.317 171.257 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.9 -47.47 83.14 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 118.685 0.675 . . . . 0.0 110.504 178.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 93.5 mt -55.38 -47.36 78.21 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 172.132 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.66 -49.43 16.34 Favored Glycine 0 CA--C 1.528 0.869 0 C-N-CA 125.516 1.531 . . . . 0.0 111.563 172.437 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.3 tp -63.34 -46.45 86.52 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 121.961 -0.729 . . . . 0.0 110.375 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 70.2 mt -56.23 -56.09 25.24 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 118.128 0.422 . . . . 0.0 111.275 175.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.3 pp -64.11 -30.94 51.41 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.261 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.339 -178.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.13 -56.13 22.28 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 124.416 1.007 . . . . 0.0 111.62 176.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -60.7 -42.45 92.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-N 117.978 0.889 . . . . 0.0 108.839 179.165 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -54.57 -45.81 73.59 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.619 -0.676 . . . . 0.0 110.128 172.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -53.46 -36.78 61.99 Favored 'General case' 0 N--CA 1.456 -0.145 0 O-C-N 121.179 -0.95 . . . . 0.0 112.105 -175.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -52.54 -41.25 63.34 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 122.448 0.299 . . . . 0.0 110.606 178.061 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -79.05 -51.44 9.57 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 176.184 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -48.29 -38.77 19.68 Favored 'General case' 0 C--O 1.226 -0.175 0 C-N-CA 124.32 1.048 . . . . 0.0 112.601 -175.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -45.44 -37.55 6.49 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.605 1.098 . . . . 0.0 112.886 177.446 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -60.6 -20.92 61.94 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 118.205 1.003 . . . . 0.0 112.279 179.194 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -128.24 37.75 4.1 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.483 1.913 . . . . 0.0 109.393 170.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 49.64 -105.81 0.18 Allowed Glycine 0 CA--C 1.53 0.999 0 C-N-CA 125.378 1.466 . . . . 0.0 113.123 178.632 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -90.17 -9.23 48.95 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.371 0.668 . . . . 0.0 112.075 -174.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.4 mtmt -73.66 81.84 1.54 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 119.14 0.882 . . . . 0.0 109.374 177.044 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.4 m80 -73.59 72.48 1.43 Allowed 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 169.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.9 p -125.3 160.54 29.04 Favored 'General case' 0 N--CA 1.437 -1.08 0 C-N-CA 127.247 2.219 . . . . 0.0 105.584 175.132 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.4 mp -93.83 80.36 4.19 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 105.717 -1.956 . . . . 0.0 105.717 171.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.0 m -91.39 162.0 14.77 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 175.588 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -46.57 -42.49 16.04 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.883 0.873 . . . . 0.0 112.623 -169.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -57.3 -45.62 84.0 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.897 0.879 . . . . 0.0 111.607 175.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -68.6 -41.16 79.99 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 118.609 -0.71 . . . . 0.0 110.495 177.255 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.2 mp -53.35 -55.44 24.87 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 118.983 0.81 . . . . 0.0 109.245 173.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.7 tmmm? -51.17 -54.82 21.79 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.611 0.764 . . . . 0.0 109.565 179.076 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -61.93 -42.36 99.01 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 122.314 -0.241 . . . . 0.0 111.603 -176.198 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.3 tp -59.62 -54.1 50.4 Favored 'General case' 0 N--CA 1.456 -0.154 0 O-C-N 121.789 -0.569 . . . . 0.0 109.838 177.106 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 81.8 mt -56.0 -50.04 71.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -52.62 -54.05 38.56 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.376 1.07 . . . . 0.0 111.067 177.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -69.45 -44.77 70.59 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 122.839 0.456 . . . . 0.0 111.425 -173.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 . . . . . 0 CA--C 1.536 0.421 0 CA-C-O 121.024 0.44 . . . . 0.0 109.85 174.839 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 . . . . . 0 N--CA 1.451 -0.407 0 CA-C-O 118.717 -0.659 . . . . 0.0 110.15 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 69.5 mt -60.61 -47.83 91.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-N 119.263 0.938 . . . . 0.0 109.597 176.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.8 t -57.05 -51.77 64.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 123.649 0.78 . . . . 0.0 109.675 176.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -55.6 -46.5 77.3 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.113 0.415 . . . . 0.0 110.954 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 56.8 tp -56.72 -56.86 16.12 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 123.956 0.903 . . . . 0.0 109.749 177.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 16.1 tpt -54.53 -50.36 68.07 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 122.305 0.242 . . . . 0.0 110.384 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -52.89 -54.89 28.08 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.722 0.809 . . . . 0.0 110.047 178.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -53.5 -61.31 2.38 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.345 0.658 . . . . 0.0 110.474 178.589 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 85.1 mt -49.65 -46.22 49.39 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.166 0.586 . . . . 0.0 110.499 -178.549 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -56.39 -23.39 37.62 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 -175.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -58.77 -29.09 66.52 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 120.197 1.362 . . . . 0.0 111.536 175.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -66.0 -29.3 69.66 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.027 0.531 . . . . 0.0 111.89 173.012 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.9 ttpp 94.29 118.37 0.02 OUTLIER 'General case' 0 C--O 1.234 0.286 0 C-N-CA 129.197 2.999 . . . . 0.0 104.741 -166.098 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -76.2 55.9 0.99 Allowed 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.819 1.248 . . . . 0.0 112.807 -169.269 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -111.66 -76.13 0.6 Allowed 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.472 1.109 . . . . 0.0 108.545 172.461 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -115.89 94.2 4.57 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 125.803 1.641 . . . . 0.0 107.755 175.378 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.9 t -94.41 138.72 19.98 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.107 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 177.18 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -91.57 155.43 18.38 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.643 -0.661 . . . . 0.0 111.458 -168.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -42.04 -45.81 4.01 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 126.006 1.722 . . . . 0.0 111.061 173.125 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -52.25 -38.79 59.14 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 119.331 -0.366 . . . . 0.0 110.903 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -68.25 -43.94 76.76 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 119.181 0.901 . . . . 0.0 110.301 -178.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -51.99 -55.93 17.41 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 173.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.1 tp -70.16 -36.21 66.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 119.818 -0.753 . . . . 0.0 111.493 -174.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 86.6 m -62.31 -39.46 93.1 Favored 'General case' 0 C--O 1.226 -0.169 0 O-C-N 121.128 -0.983 . . . . 0.0 109.001 176.03 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -61.51 -39.67 91.85 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 118.16 0.436 . . . . 0.0 110.598 171.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 tt -55.33 -49.84 71.17 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 174.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -49.74 -55.62 13.76 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 123.989 0.804 . . . . 0.0 112.132 172.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.81 -42.23 83.81 Favored 'General case' 0 N--CA 1.457 -0.1 0 C-N-CA 124.546 1.138 . . . . 0.0 111.68 -177.029 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 53.4 tp -67.87 -53.41 26.94 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 177.174 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.17 -47.75 71.67 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.233 1.013 . . . . 0.0 112.028 -177.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -8.61 4.39 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 -169.585 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.2 pp -57.81 -38.73 67.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-N 119.154 0.888 . . . . 0.0 109.672 168.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 61.19 -58.52 0.1 Allowed 'General case' 0 C--N 1.343 0.312 0 C-N-CA 127.956 2.502 . . . . 0.0 115.65 174.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -9.97 103.39 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 128.779 2.831 . . . . 0.0 113.781 178.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 72.41 -43.24 0.56 Allowed 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 126.002 1.721 . . . . 0.0 113.297 173.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.77 -52.71 59.36 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.998 0.817 . . . . 0.0 109.549 173.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.5 tp . . . . . 0 CA--C 1.54 0.583 0 C-N-CA 123.835 0.854 . . . . 0.0 110.34 173.718 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 30.7 t . . . . . 0 N--CA 1.449 -0.519 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -50.18 -27.39 17.27 Favored 'Trans proline' 0 N--CA 1.451 -1.023 0 C-N-CA 122.471 2.114 . . . . 0.0 111.57 167.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 39.6 tp -59.2 -54.37 47.67 Favored 'General case' 0 C--N 1.342 0.258 0 CA-C-N 118.536 0.607 . . . . 0.0 110.428 173.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -67.02 -35.78 80.67 Favored 'General case' 0 C--O 1.23 0.074 0 O-C-N 121.569 -0.707 . . . . 0.0 110.689 -178.282 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -55.54 -48.05 75.35 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 171.116 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.93 -47.48 86.24 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.343 0.657 . . . . 0.0 110.244 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 96.4 mt -56.83 -49.31 79.15 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.229 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.78 -53.43 36.34 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 176.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 57.4 tp -52.52 -52.33 55.16 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.335 0.654 . . . . 0.0 110.22 177.115 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 35.3 mt -58.01 -49.27 77.42 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 124.008 0.923 . . . . 0.0 111.077 -178.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 10.7 mm -52.16 -57.2 4.15 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 175.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.88 -59.48 10.52 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.671 -0.571 . . . . 0.0 111.671 -177.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 14.6 tt -64.23 -35.55 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 O-C-N 121.758 -0.848 . . . . 0.0 110.817 -175.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -64.62 -45.97 84.58 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 118.955 0.798 . . . . 0.0 110.169 177.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -54.8 -46.82 74.53 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 118.429 0.559 . . . . 0.0 110.17 173.148 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -63.41 -50.87 68.13 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 121.466 0.65 . . . . 0.0 109.801 -174.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -54.36 -48.34 71.58 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 125.821 1.648 . . . . 0.0 109.77 176.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 10.9 m -73.14 8.94 1.38 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.056 0.943 . . . . 0.0 113.462 174.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.22 -33.54 52.31 Favored Glycine 0 CA--C 1.529 0.947 0 CA-C-N 120.105 1.32 . . . . 0.0 113.036 -173.236 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -37.42 63.64 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.997 0.919 . . . . 0.0 110.896 173.715 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -101.79 25.58 8.43 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.527 1.531 . . . . 0.0 110.51 174.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 55.09 -111.59 2.35 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 124.333 0.968 . . . . 0.0 111.709 -175.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -114.13 14.71 18.3 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.009 1.323 . . . . 0.0 110.937 177.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -66.14 125.59 26.01 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 173.317 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -76.33 53.31 0.82 Allowed 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.937 0.718 . . . . 0.0 112.937 -169.684 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 9.8 t -146.51 142.76 28.39 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 123.877 0.871 . . . . 0.0 109.021 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 44.0 mt -94.92 128.41 41.68 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 171.118 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 23.2 t -91.57 170.25 10.09 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 178.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -50.12 -41.44 48.65 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.229 0.611 . . . . 0.0 109.371 174.409 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -44.08 -51.69 7.74 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.727 1.611 . . . . 0.0 111.163 172.079 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -65.1 -49.16 71.08 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.232 0.613 . . . . 0.0 109.512 -175.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.88 -49.74 76.65 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 117.929 0.332 . . . . 0.0 110.11 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -54.76 -51.39 65.84 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.218 0.207 . . . . 0.0 110.571 176.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -57.08 -45.1 83.58 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 122.233 -0.292 . . . . 0.0 111.631 177.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 44.8 tp -58.92 -50.42 74.09 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 118.766 0.712 . . . . 0.0 109.82 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 81.0 mt -57.06 -48.41 81.94 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 178.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -55.02 -54.43 43.12 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.904 0.881 . . . . 0.0 110.956 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt . . . . . 0 CA--C 1.53 0.186 0 C-N-CA 123.348 0.659 . . . . 0.0 110.814 -178.865 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 23.4 tp . . . . . 0 CA--C 1.53 0.202 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -53.28 -53.92 43.83 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.913 0.885 . . . . 0.0 109.734 175.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -53.87 -50.86 65.35 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.368 0.667 . . . . 0.0 110.974 178.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -57.09 -41.44 78.86 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.255 0.622 . . . . 0.0 111.531 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 tt -66.99 -63.71 1.0 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 121.401 0.62 . . . . 0.0 109.761 176.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -74.36 67.18 1.4 Allowed 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 125.823 1.649 . . . . 0.0 110.459 -178.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.07 -50.0 70.26 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 173.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -74.87 61.92 1.06 Allowed 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.621 -0.674 . . . . 0.0 110.663 169.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 39.9 pttt -72.45 68.84 0.81 Allowed 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.152 0.981 . . . . 0.0 109.505 174.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -148.35 -56.05 0.21 Allowed 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.967 1.307 . . . . 0.0 109.352 -176.118 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -123.34 -91.32 0.55 Allowed 'General case' 0 N--CA 1.457 -0.098 0 C-N-CA 123.573 0.749 . . . . 0.0 110.558 -178.05 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -132.9 145.08 50.61 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 126.392 1.877 . . . . 0.0 106.158 -175.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 8.2 p -95.51 135.01 30.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 -177.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -92.2 152.16 20.0 Favored 'General case' 0 C--N 1.333 -0.119 0 O-C-N 121.795 -0.565 . . . . 0.0 110.191 -170.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -47.42 -42.77 22.88 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.319 0.648 . . . . 0.0 111.899 174.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 16.7 tp60 -59.05 -37.76 77.77 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.18 -0.95 . . . . 0.0 110.996 177.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -68.04 -40.53 82.84 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 118.86 -0.59 . . . . 0.0 109.688 174.267 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -56.71 -48.41 77.76 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.691 0.678 . . . . 0.0 109.858 176.265 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 22.0 mm -56.19 -53.46 39.12 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 123.112 0.565 . . . . 0.0 110.49 175.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 23.8 m -56.36 -46.89 79.81 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.999 -0.438 . . . . 0.0 110.564 -178.415 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -53.14 -48.99 67.47 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.563 1.145 . . . . 0.0 110.517 173.104 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 3.1 tt -57.42 -47.7 81.05 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 -178.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -51.02 -60.86 6.66 Favored Glycine 0 C--O 1.223 -0.558 0 CA-C-O 119.328 -0.706 . . . . 0.0 111.983 173.621 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.21 -51.75 66.94 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.119 0.96 . . . . 0.0 111.425 -177.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -52.52 -50.93 61.85 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 125.256 1.422 . . . . 0.0 109.77 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.08 -49.68 66.75 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 121.952 -0.468 . . . . 0.0 111.612 178.406 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 28.0 ttt -49.22 -39.13 28.77 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.991 1.717 . . . . 0.0 113.678 -172.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 17.9 pt -63.82 -18.73 22.96 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 119.06 0.845 . . . . 0.0 112.61 178.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 58.02 -137.29 0.91 Allowed 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 125.646 1.578 . . . . 0.0 110.655 178.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . 0.276 4.5 p30 41.25 -124.62 0.53 Allowed 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.898 1.279 . . . . 0.0 111.469 -177.008 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -48.83 -34.33 12.27 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 119.676 1.126 . . . . 0.0 113.044 -178.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.36 -32.63 68.74 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 118.49 0.586 . . . . 0.0 111.55 -175.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 25.8 mt . . . . . 0 CA--C 1.531 0.234 0 CA-C-O 119.618 -0.229 . . . . 0.0 111.609 -179.37 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.415 0 CA-C-O 118.223 -0.894 . . . . 0.0 109.187 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -33.39 -62.56 0.17 Allowed 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 124.883 3.722 . . . . 0.0 116.498 -169.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -57.84 -40.74 80.79 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.389 -0.819 . . . . 0.0 112.436 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -68.04 -42.9 79.84 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 121.93 -0.481 . . . . 0.0 109.928 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -56.85 -43.44 81.13 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 122.824 0.449 . . . . 0.0 109.964 173.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.31 -52.58 64.11 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 122.761 0.425 . . . . 0.0 110.224 -178.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.7 mt -50.03 -55.18 5.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 N-CA-C 108.706 -0.849 . . . . 0.0 108.706 172.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.97 -51.97 10.39 Favored Glycine 0 CA--C 1.524 0.639 0 C-N-CA 125.921 1.724 . . . . 0.0 112.212 178.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 30.3 mt -63.9 -49.59 72.08 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 117.838 0.819 . . . . 0.0 110.338 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mp -55.5 -52.98 61.86 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 119.449 -0.31 . . . . 0.0 111.336 -178.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.8 pt -67.32 -40.3 84.54 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 177.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -43.18 -56.89 4.45 Favored Glycine 0 C--N 1.335 0.502 0 C-N-CA 125.733 1.635 . . . . 0.0 110.884 176.49 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.1 tt -74.85 -53.17 17.16 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 117.921 0.86 . . . . 0.0 111.52 175.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -54.51 -45.48 73.33 Favored 'General case' 0 C--N 1.34 0.176 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -168.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -61.77 -31.86 72.09 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -173.367 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -57.25 -41.98 80.63 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-O 121.547 0.689 . . . . 0.0 109.457 -178.151 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -81.13 -65.6 0.99 Allowed 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.222 175.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 84.1 p -63.33 -23.11 67.27 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 -168.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -51.7 -32.33 32.31 Favored Glycine 0 CA--C 1.529 0.924 0 C-N-CA 123.879 0.752 . . . . 0.0 111.767 173.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -54.37 -30.9 53.41 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 117.513 0.656 . . . . 0.0 111.322 174.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -123.57 48.32 1.88 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.539 1.536 . . . . 0.0 108.515 170.499 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.81 66.38 0.83 Allowed Glycine 0 CA--C 1.527 0.831 0 C-N-CA 126.164 1.84 . . . . 0.0 111.807 -175.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -167.7 -59.62 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 127.908 2.483 . . . . 0.0 105.298 -177.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -63.62 -40.62 97.34 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.791 169.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 77.7 m80 58.94 61.43 2.15 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 122.372 1.082 . . . . 0.0 109.962 -177.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.6 p -131.03 170.25 14.75 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 106.123 -1.806 . . . . 0.0 106.123 176.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.5 tt -125.64 116.48 21.77 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.4 m -97.49 164.95 12.23 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.148 0.979 . . . . 0.0 112.285 -169.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -44.97 -47.77 11.42 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 125.34 1.456 . . . . 0.0 113.319 -170.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -55.3 -59.73 4.39 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.114 0.566 . . . . 0.0 109.831 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -50.46 -47.48 56.95 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.039 0.535 . . . . 0.0 110.321 176.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 48.8 tp -57.68 -55.67 31.88 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 119.319 -0.372 . . . . 0.0 110.875 -178.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.26 -40.38 90.16 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 119.123 0.874 . . . . 0.0 111.034 -178.577 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.6 -51.25 70.26 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.595 -0.691 . . . . 0.0 110.434 175.47 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 61.6 tp -54.28 -54.86 34.42 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.143 0.577 . . . . 0.0 110.138 176.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 59.6 mt -51.32 -53.07 16.87 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 C-N-CA 123.51 0.724 . . . . 0.0 109.997 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -52.74 -55.02 25.76 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 119.444 -0.312 . . . . 0.0 110.752 178.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -30.2 67.56 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -175.287 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 . . . . . 0 CA--C 1.533 0.3 0 CA-C-N 119.027 0.831 . . . . 0.0 110.566 169.923 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 . . . . . 0 CA--C 1.533 0.316 0 CA-C-O 118.827 -0.606 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 78.3 mt -56.31 -55.44 18.88 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 119.283 0.947 . . . . 0.0 110.536 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.2 m -63.78 -38.77 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-O 118.977 -0.535 . . . . 0.0 110.934 -177.199 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -56.49 -48.49 77.05 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 118.774 0.716 . . . . 0.0 109.87 173.337 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.4 tt -58.21 -54.25 49.1 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 67.2 mtm -56.24 -47.03 79.29 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 122.08 -0.387 . . . . 0.0 111.25 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -56.37 -53.15 60.71 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.505 0.722 . . . . 0.0 110.415 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -56.53 -50.18 72.61 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 121.047 0.451 . . . . 0.0 110.752 177.182 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 45.3 tp -55.93 -42.09 75.61 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.001 0.921 . . . . 0.0 110.731 -178.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -65.72 -55.51 16.97 Favored 'General case' 0 N--CA 1.456 -0.168 0 O-C-N 122.114 -0.366 . . . . 0.0 110.039 173.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.4 -38.15 18.81 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 125.096 1.359 . . . . 0.0 111.405 -177.291 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -47.76 -37.72 13.98 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.517 0.727 . . . . 0.0 111.812 176.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.34 44.28 2.98 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.236 1.414 . . . . 0.0 109.112 173.083 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -23.44 82.35 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 128.222 2.609 . . . . 0.0 115.592 -168.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -175.0 -60.14 0.01 OUTLIER 'General case' 0 C--N 1.339 0.11 0 C-N-CA 123.443 0.697 . . . . 0.0 111.123 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -145.93 170.23 17.02 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.922 1.289 . . . . 0.0 110.094 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 30.5 m -119.93 139.89 45.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 106.442 -1.688 . . . . 0.0 106.442 165.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -92.48 151.06 20.4 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -177.369 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -46.6 -44.13 17.89 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 177.524 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -59.12 -38.78 80.41 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 120.856 -1.153 . . . . 0.0 110.614 177.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -64.5 -47.47 78.79 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 176.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -49.7 -49.94 45.73 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.709 0.804 . . . . 0.0 110.349 173.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 16.4 mm -57.01 -53.82 38.07 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 O-C-N 121.589 -0.694 . . . . 0.0 111.146 176.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.1 p -63.29 -25.36 68.28 Favored 'General case' 0 C--O 1.223 -0.31 0 O-C-N 120.894 -1.129 . . . . 0.0 111.782 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.54 -45.61 82.72 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.116 0.966 . . . . 0.0 109.856 172.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.4 tp -54.09 -48.51 70.6 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 170.402 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -46.31 -60.0 4.9 Favored Glycine 0 CA--C 1.532 1.106 0 N-CA-C 111.757 -0.537 . . . . 0.0 111.757 172.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.08 -45.31 79.39 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 125.122 1.369 . . . . 0.0 111.418 -175.374 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 96.3 mt -58.6 -53.24 60.58 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 174.175 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.52 -38.79 72.3 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -178.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 22.8 mmt -54.41 -18.04 3.74 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.063 0.945 . . . . 0.0 113.209 177.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 96.2 mt -55.85 -33.92 35.9 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-N 119.432 1.015 . . . . 0.0 110.316 171.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 48.56 77.53 0.1 Allowed 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 125.185 1.394 . . . . 0.0 113.319 171.212 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -33.17 107.61 0.05 OUTLIER 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 126.101 1.76 . . . . 0.0 112.219 169.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 56.07 43.23 27.34 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.599 0.76 . . . . 0.0 112.392 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 55.42 41.68 30.76 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.538 0.735 . . . . 0.0 109.982 -171.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 18.4 tp . . . . . 0 CA--C 1.536 0.41 0 C-N-CA 125.694 1.598 . . . . 0.0 110.839 -175.549 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.449 -0.506 0 CA-C-O 118.148 -0.929 . . . . 0.0 113.321 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -58.01 -51.73 7.25 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 121.88 1.72 . . . . 0.0 111.25 178.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 94.5 mt -57.62 -49.36 76.68 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 178.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -58.09 -51.01 71.47 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -55.34 -43.85 75.38 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.086 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.7 -53.15 44.86 Favored 'General case' 0 N--CA 1.456 -0.154 0 O-C-N 122.289 -0.257 . . . . 0.0 110.481 -175.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 66.3 mt -55.86 -52.65 46.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 123.936 0.895 . . . . 0.0 108.806 178.188 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.53 -51.72 46.21 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.459 ' C ' HD23 ' B' ' 11' ' ' LEU . 6.4 tt -56.17 -55.69 30.03 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.958 0.903 . . . . 0.0 110.228 178.522 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 60.9 mt -57.25 -51.67 68.4 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 123.453 0.701 . . . . 0.0 110.586 -177.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 10.0 mm -51.57 -48.95 35.31 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.187 0 C-N-CA 123.572 0.749 . . . . 0.0 109.537 173.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -52.51 -66.64 2.53 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 123.835 0.731 . . . . 0.0 111.542 177.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 34.1 pt -60.44 -39.22 80.43 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.103 0 O-C-N 121.498 -1.001 . . . . 0.0 110.959 -175.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -67.67 -36.23 80.33 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 121.908 -0.495 . . . . 0.0 111.346 -179.128 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -60.16 -46.68 88.86 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 169.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -58.44 -44.09 89.02 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 118.667 0.667 . . . . 0.0 110.246 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -62.97 -78.12 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.784 174.219 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 88.8 p -67.45 -24.16 65.6 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 -168.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -46.94 -43.86 17.58 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 124.373 0.987 . . . . 0.0 112.987 -173.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -55.69 -29.62 59.69 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -113.33 18.19 17.98 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.511 1.524 . . . . 0.0 111.206 177.059 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 20.64 -91.38 0.01 OUTLIER Glycine 0 CA--C 1.529 0.91 0 C-N-CA 128.938 3.161 . . . . 0.0 115.277 -178.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -44.75 -42.22 7.54 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 125.92 1.688 . . . . 0.0 112.167 -178.446 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -71.0 80.37 0.66 Allowed 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 175.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -69.43 64.64 0.17 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.134 1.374 . . . . 0.0 109.71 174.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 8.4 p -142.51 152.43 42.66 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 126.042 1.737 . . . . 0.0 106.853 -173.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 3.7 tt -93.81 104.82 16.88 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 105.303 -2.11 . . . . 0.0 105.303 172.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 89.1 p -94.27 158.54 15.54 Favored 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 123.417 0.687 . . . . 0.0 111.161 -172.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 15.9 pttm -29.03 -53.72 0.12 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.938 2.095 . . . . 0.0 114.861 175.022 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.07 -49.92 74.37 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.769 0.795 . . . . 0.0 110.37 178.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -70.5 -33.35 71.12 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.229 1.412 . . . . 0.0 109.967 -176.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 tt -61.48 -54.1 47.73 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 125.314 1.446 . . . . 0.0 108.394 174.252 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -53.29 -51.24 62.94 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 177.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -52.23 -52.81 50.22 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 122.74 0.416 . . . . 0.0 111.18 175.517 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.8 tt -52.26 -57.9 8.29 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 119.153 -0.451 . . . . 0.0 109.976 179.086 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 38.0 pt -61.78 -44.87 99.43 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 119.761 -0.775 . . . . 0.0 111.175 -174.434 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -67.97 -36.59 80.3 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 118.864 0.757 . . . . 0.0 111.942 -177.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt . . . . . 0 CA--C 1.531 0.228 0 CA-C-N 118.747 0.703 . . . . 0.0 110.798 176.73 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 11.8 tp . . . . . 0 CA--C 1.534 0.346 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 12.8 tmm? -55.8 -52.49 63.82 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 174.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -56.72 -43.26 80.42 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 122.741 0.416 . . . . 0.0 111.303 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -59.8 -48.47 81.55 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 124.364 1.066 . . . . 0.0 110.068 176.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 57.3 tp -57.0 -44.69 83.0 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.338 0.517 . . . . 0.0 110.332 175.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -67.93 -9.84 48.47 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.73 0.812 . . . . 0.0 112.824 173.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 46.53 30.9 1.19 Allowed 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 126.284 1.834 . . . . 0.0 111.162 -169.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 53.88 26.74 6.46 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.591 1.156 . . . . 0.0 111.866 -177.415 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 35.5 mtmm -76.35 -28.1 56.7 Favored 'General case' 0 C--O 1.227 -0.099 0 O-C-N 120.813 -1.179 . . . . 0.0 111.507 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 32.2 t70 50.78 59.39 4.63 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 125.355 1.462 . . . . 0.0 110.023 -171.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -118.8 -109.24 0.36 Allowed 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.671 0.788 . . . . 0.0 109.405 177.468 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -131.17 119.39 21.81 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 125.516 1.526 . . . . 0.0 108.323 -174.297 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 86.8 t -93.95 133.65 34.27 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.173 0 N-CA-C 105.663 -1.977 . . . . 0.0 105.663 169.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -89.17 149.6 23.07 Favored 'General case' 0 N--CA 1.462 0.151 0 O-C-N 120.853 -1.154 . . . . 0.0 109.07 -169.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -42.65 -49.59 5.53 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 113.696 0.999 . . . . 0.0 113.696 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -59.75 -38.49 81.92 Favored 'General case' 0 C--O 1.225 -0.22 0 O-C-N 121.195 -0.94 . . . . 0.0 110.223 179.196 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -66.26 -37.56 85.78 Favored 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 121.638 -0.664 . . . . 0.0 110.237 177.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -57.54 -50.56 72.69 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.523 0.601 . . . . 0.0 110.29 172.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 26.0 mm -57.47 -51.78 65.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 O-C-N 121.721 -0.612 . . . . 0.0 111.134 176.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 9.8 m -58.84 -37.16 75.83 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.764 -0.585 . . . . 0.0 110.169 -178.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -61.57 -48.03 82.84 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.89 0.876 . . . . 0.0 110.656 174.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 tp -52.57 -48.62 66.07 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 173.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.86 -56.34 14.35 Favored Glycine 0 CA--C 1.529 0.914 0 N-CA-C 112.051 -0.42 . . . . 0.0 112.051 173.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.39 -45.23 76.65 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.361 1.064 . . . . 0.0 111.303 -177.483 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 81.8 mt -60.17 -56.7 18.34 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 122.173 -0.329 . . . . 0.0 110.124 175.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.15 -36.67 61.11 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.798 -0.564 . . . . 0.0 112.112 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 24.2 ttt -55.72 -18.81 9.01 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.471 1.109 . . . . 0.0 113.535 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.7 pp -61.97 -23.48 31.62 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 CA-C-N 119.72 1.145 . . . . 0.0 111.966 173.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 50.28 61.35 3.24 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 124.968 1.307 . . . . 0.0 113.208 173.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -42.59 113.09 0.42 Allowed 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.286 1.034 . . . . 0.0 110.145 170.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 54.49 40.33 31.73 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.645 0.778 . . . . 0.0 111.354 177.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 51.9 35.47 15.8 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.014 0.926 . . . . 0.0 110.905 -175.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 65.2 mt . . . . . 0 N--CA 1.45 -0.432 0 C-N-CA 124.507 1.123 . . . . 0.0 111.582 -171.521 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.539 0.557 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -79.57 60.06 7.66 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 122.295 1.997 . . . . 0.0 110.301 177.192 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.4 mt -41.93 -58.52 2.02 Favored 'General case' 0 C--N 1.342 0.243 0 C-N-CA 124.685 1.194 . . . . 0.0 111.013 -176.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -57.91 -47.46 82.77 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 123.174 0.59 . . . . 0.0 111.546 -172.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -60.4 -45.31 94.02 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.67 -61.24 1.98 Allowed 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.433 0.635 . . . . 0.0 110.149 -172.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.6 tt -66.73 -40.21 85.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.602 -175.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.77 -50.63 65.4 Favored Glycine 0 C--N 1.339 0.711 0 N-CA-C 110.515 -1.034 . . . . 0.0 110.515 176.437 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.9 tp -57.47 -53.72 54.92 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 118.131 0.966 . . . . 0.0 109.896 176.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.8 tp -55.2 -50.61 68.95 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 120.765 0.317 . . . . 0.0 111.484 -176.141 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 84.6 mt -61.31 -42.3 93.06 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.274 0 C-N-CA 123.269 0.628 . . . . 0.0 109.603 176.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.64 -54.74 28.77 Favored Glycine 0 CA--C 1.528 0.881 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 176.181 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 32.5 mm -60.26 -36.76 70.56 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 O-C-N 122.127 -0.631 . . . . 0.0 110.635 178.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -60.36 -55.62 31.38 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.983 0.811 . . . . 0.0 110.24 173.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -61.94 -24.98 67.33 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 124.668 1.187 . . . . 0.0 111.334 -177.029 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -53.54 -46.5 70.22 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 118.838 0.745 . . . . 0.0 109.265 170.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -78.36 -63.87 1.3 Allowed 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 177.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.4 m -54.91 -24.16 22.26 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -174.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.63 -30.34 13.54 Favored Glycine 0 CA--C 1.526 0.779 0 C-N-CA 125.333 1.444 . . . . 0.0 113.642 172.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -75.02 58.99 0.9 Allowed 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.402 1.601 . . . . 0.0 110.696 174.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 52.27 47.94 23.69 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.066 1.746 . . . . 0.0 112.841 176.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.56 -42.45 97.41 Favored Glycine 0 CA--C 1.532 1.096 0 N-CA-C 109.799 -1.32 . . . . 0.0 109.799 169.156 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.0 t70 68.23 -67.68 0.19 Allowed 'General case' 0 C--N 1.339 0.125 0 C-N-CA 127.444 2.298 . . . . 0.0 110.883 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -71.15 143.98 50.37 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 169.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -67.59 72.27 0.14 Allowed 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 122.608 1.194 . . . . 0.0 110.048 -178.25 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 65.6 p -146.74 171.2 15.51 Favored 'General case' 0 N--CA 1.435 -1.192 0 C-N-CA 126.705 2.002 . . . . 0.0 107.483 -169.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.7 tt -121.1 111.08 17.0 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 105.315 -2.106 . . . . 0.0 105.315 172.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.9 t -93.93 160.8 14.57 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.92 1.288 . . . . 0.0 111.469 -168.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -24.16 -64.47 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 127.855 2.462 . . . . 0.0 113.464 175.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.4 pttt -46.73 -51.71 15.57 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.248 1.819 . . . . 0.0 112.155 177.334 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -74.09 -34.58 64.03 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 124.938 1.295 . . . . 0.0 109.648 -175.456 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 36.7 tp -64.55 -46.32 83.3 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 176.437 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -56.3 -48.47 76.59 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.035 0.534 . . . . 0.0 110.67 171.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -51.45 -55.87 16.39 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.466 0.575 . . . . 0.0 110.896 175.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 58.7 tp -54.52 -52.09 63.1 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.399 0.68 . . . . 0.0 110.372 179.017 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 57.7 mt -53.62 -47.31 61.19 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 C-N-CA 123.513 0.725 . . . . 0.0 110.179 178.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -56.51 -51.66 67.66 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 178.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -55.1 -52.45 63.19 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 118.468 0.576 . . . . 0.0 111.676 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 . . . . . 0 CA--C 1.535 0.394 0 C-N-CA 122.691 0.396 . . . . 0.0 111.668 178.04 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 . . . . . 0 CA--C 1.536 0.42 0 CA-C-O 117.701 -1.143 . . . . 0.0 112.385 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 43.0 mm -62.46 -43.65 98.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 121.356 1.889 . . . . 0.0 110.281 173.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 70.4 t -61.34 -48.69 87.75 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 O-C-N 121.588 -0.695 . . . . 0.0 109.64 177.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -55.63 -48.26 75.24 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 122.096 -0.378 . . . . 0.0 110.376 176.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 69.7 tp -57.99 -50.06 74.69 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.458 0.703 . . . . 0.0 109.857 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 58.7 tpp -52.15 -54.27 32.74 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.528 0.731 . . . . 0.0 109.158 176.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -53.56 -51.94 61.3 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.794 0.438 . . . . 0.0 111.468 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -61.71 -46.53 89.27 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.288 0.635 . . . . 0.0 112.501 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 60.4 tp -79.92 -45.75 17.99 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.997 1.319 . . . . 0.0 112.694 -168.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -73.36 67.82 1.04 Allowed 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.14 0.976 . . . . 0.0 112.63 -167.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -79.69 54.49 1.82 Allowed 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.162 0.985 . . . . 0.0 109.523 173.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -166.17 -96.44 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 125.354 1.461 . . . . 0.0 107.931 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -169.91 157.44 6.71 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 126.683 1.993 . . . . 0.0 105.685 171.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -76.07 70.59 2.77 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.124 0.488 . . . . 0.0 110.795 -171.344 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -130.62 -58.02 1.04 Allowed 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 126.453 1.901 . . . . 0.0 108.694 174.205 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -145.07 151.71 38.96 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 106.568 -1.642 . . . . 0.0 106.568 172.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.8 m -116.91 150.21 18.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 169.266 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -91.9 160.12 15.43 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 121.52 -0.737 . . . . 0.0 110.168 -169.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -42.7 -42.76 3.62 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 169.139 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.0 tm0? -50.43 -45.95 56.18 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.117 -0.989 . . . . 0.0 111.165 172.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -68.83 -35.88 77.51 Favored 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 121.38 -0.825 . . . . 0.0 109.789 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -59.72 -45.64 91.55 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.1 0.864 . . . . 0.0 111.215 170.42 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 29.9 mm -56.61 -46.04 82.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 O-C-N 120.754 -1.216 . . . . 0.0 109.737 173.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.3 m -61.24 -36.73 80.77 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.664 -0.647 . . . . 0.0 110.668 177.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -57.26 -50.53 72.6 Favored 'General case' 0 C--N 1.339 0.15 0 CA-C-N 119.145 0.884 . . . . 0.0 109.75 173.105 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.1 tp -51.32 -52.17 47.8 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 176.322 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -52.95 -55.67 22.55 Favored Glycine 0 CA--C 1.533 1.169 0 N-CA-C 112.428 -0.269 . . . . 0.0 112.428 176.308 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.42 -52.74 60.8 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.001 1.32 . . . . 0.0 110.827 -175.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.51 -48.47 80.91 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 177.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.36 -32.75 26.85 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-O 118.046 -0.978 . . . . 0.0 113.134 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.2 mmm -48.48 -22.45 0.73 Allowed 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 175.651 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 15.7 tt -47.81 -41.57 8.9 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 CA-C-N 119.397 0.999 . . . . 0.0 111.455 171.206 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 21.0 m-30 57.76 -70.8 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 127.346 2.258 . . . . 0.0 115.188 174.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -22.9 -63.74 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 128.12 2.568 . . . . 0.0 115.233 -168.258 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 34.9 mp0 -71.39 -29.83 65.4 Favored 'General case' 0 C--N 1.333 -0.112 0 O-C-N 121.83 -0.543 . . . . 0.0 112.306 -172.266 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -77.63 -58.48 3.24 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 174.08 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.6 mt . . . . . 0 CA--C 1.535 0.388 0 C-N-CA 124.275 1.03 . . . . 0.0 110.894 178.128 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.538 0.517 0 N-CA-C 110.82 -0.066 . . . . 0.0 110.82 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -52.34 -51.64 10.68 Favored 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 123.966 3.111 . . . . 0.0 113.515 -168.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 81.4 mt -54.72 -58.42 7.59 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 120.792 0.329 . . . . 0.0 110.491 -177.093 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -67.06 -33.96 76.63 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 119.033 -0.508 . . . . 0.0 111.706 -176.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.18 -46.17 91.59 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.699 0.681 . . . . 0.0 109.405 173.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.37 -49.51 69.03 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 123.072 0.549 . . . . 0.0 110.569 -176.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 85.7 mt -54.55 -52.15 43.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 173.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.31 -52.26 13.77 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 124.571 1.082 . . . . 0.0 111.403 176.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 6.1 tt -57.42 -64.95 0.72 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.444 0.698 . . . . 0.0 109.934 177.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 30.1 tp -57.37 -54.23 49.22 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 121.454 0.645 . . . . 0.0 110.733 -172.001 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 41.8 mm -64.6 -38.14 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 -178.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.1 -43.12 73.22 Favored Glycine 0 CA--C 1.528 0.879 0 CA-C-N 118.816 0.734 . . . . 0.0 111.981 173.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 32.5 mm -64.75 -59.09 4.69 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-N 117.963 0.881 . . . . 0.0 109.343 173.103 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -45.48 -51.98 10.89 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.361 1.064 . . . . 0.0 111.497 -177.26 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -41.2 -39.78 1.41 Allowed 'General case' 0 C--N 1.335 -0.029 0 C-N-CA 129.058 2.943 . . . . 0.0 113.227 178.759 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -60.7 -44.7 96.23 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 118.199 0.454 . . . . 0.0 110.123 -174.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -82.9 -72.61 0.44 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 122.207 1.003 . . . . 0.0 108.66 172.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 73.1 m -80.92 64.6 5.74 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 125.267 1.427 . . . . 0.0 110.4 -174.079 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 157.48 50.9 0.01 OUTLIER Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 176.143 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.12 70.71 1.1 Allowed 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 117.621 0.711 . . . . 0.0 110.416 179.193 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 67.91 -63.71 0.31 Allowed 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 126.467 1.907 . . . . 0.0 109.756 -170.069 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.02 131.09 48.33 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 108.443 -1.863 . . . . 0.0 108.443 169.111 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -76.03 60.62 1.43 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.078 0.951 . . . . 0.0 112.097 -171.162 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -71.05 73.08 0.61 Allowed 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 172.398 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 41.5 p-80 -76.19 47.19 0.44 Allowed 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.974 0.893 . . . . 0.0 110.776 177.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 34.5 p -145.7 152.49 39.69 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 105.255 -2.128 . . . . 0.0 105.255 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 19.2 tp -122.57 135.96 54.76 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.274 1.03 . . . . 0.0 108.319 -174.064 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 70.4 p -92.02 155.32 18.19 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 174.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 50.3 pttt -54.79 -33.87 61.96 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 122.418 -0.176 . . . . 0.0 110.949 171.465 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -58.13 -60.56 3.56 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.55 0.74 . . . . 0.0 110.215 172.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -53.78 -45.57 70.74 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 121.838 -0.539 . . . . 0.0 110.853 178.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 41.9 tp -58.57 -53.8 54.2 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.557 0.743 . . . . 0.0 110.676 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -45.91 91.96 Favored 'General case' 0 C--O 1.226 -0.134 0 CA-C-N 118.938 0.79 . . . . 0.0 110.696 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.8 -46.51 74.51 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.875 0.762 . . . . 0.0 111.048 175.368 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 55.1 tp -59.31 -51.49 69.72 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 121.848 -0.532 . . . . 0.0 110.621 177.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 78.3 mt -62.76 -41.31 91.93 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-N 118.971 0.805 . . . . 0.0 109.858 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -55.09 -47.3 75.12 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 121.333 -0.854 . . . . 0.0 110.025 174.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? . . . . . 0 CA--C 1.53 0.2 0 O-C-N 121.824 -0.548 . . . . 0.0 110.529 177.183 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 65.5 tp . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 47.0 mtm -54.37 -54.28 42.68 Favored 'General case' 0 C--N 1.339 0.125 0 CA-C-N 117.99 0.359 . . . . 0.0 110.191 177.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -53.98 -53.21 56.06 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 122.249 0.22 . . . . 0.0 110.998 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -59.88 -44.25 94.3 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.175 0.99 . . . . 0.0 111.689 -176.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -72.95 -59.19 2.82 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 -176.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -81.97 56.14 3.02 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.174 0.59 . . . . 0.0 110.864 -170.105 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -56.12 -38.45 70.8 Favored 'General case' 0 N--CA 1.462 0.149 0 O-C-N 122.033 -0.417 . . . . 0.0 111.298 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 25.0 p-10 -63.74 -51.54 64.47 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 122.99 0.516 . . . . 0.0 111.063 -178.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -152.12 76.72 1.18 Allowed 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.893 0.877 . . . . 0.0 110.583 -173.607 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -73.59 69.1 1.23 Allowed 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 168.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -149.83 -100.33 0.07 Allowed 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 126.128 1.771 . . . . 0.0 108.173 -171.249 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -120.23 127.93 52.88 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 127.056 2.142 . . . . 0.0 105.956 171.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 35.9 m -119.77 154.55 22.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 C-N-CA 124.594 1.158 . . . . 0.0 108.896 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -91.83 158.74 16.16 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 122.952 0.501 . . . . 0.0 109.953 -171.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -39.05 -47.12 1.47 Allowed 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 170.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -57.13 -39.09 74.46 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.055 -1.028 . . . . 0.0 111.473 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -70.75 -40.94 72.39 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 121.553 -0.717 . . . . 0.0 109.785 177.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -54.16 -50.74 66.3 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.18 0.446 . . . . 0.0 110.404 172.075 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 10.4 mm -53.32 -50.95 44.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 O-C-N 121.897 -0.502 . . . . 0.0 110.334 173.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 30.2 m -58.05 -38.0 75.45 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.73 -0.607 . . . . 0.0 111.02 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -58.97 -47.63 84.44 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.876 0.87 . . . . 0.0 109.531 175.182 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.37 -49.82 71.31 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 174.508 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.57 -56.21 9.91 Favored Glycine 0 C--O 1.222 -0.647 0 C-N-CA 124.469 1.033 . . . . 0.0 111.285 177.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.08 -52.54 64.89 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 118.333 1.067 . . . . 0.0 110.724 177.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 58.4 tp -54.14 -37.61 64.57 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.976 0.911 . . . . 0.0 111.615 -177.033 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.68 -52.87 7.41 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 117.966 0.348 . . . . 0.0 111.306 175.109 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 52.2 ttm -52.35 -38.45 58.74 Favored 'General case' 0 CA--C 1.528 0.109 0 C-N-CA 125.989 1.715 . . . . 0.0 111.682 -174.102 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 13.8 tt -54.31 -27.02 16.49 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 177.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -75.35 48.36 0.42 Allowed 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.813 0.845 . . . . 0.0 110.793 175.245 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.86 150.66 41.23 Favored 'General case' 0 N--CA 1.455 -0.183 0 O-C-N 121.28 -0.888 . . . . 0.0 109.125 178.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 70.86 -59.53 0.53 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.612 1.565 . . . . 0.0 109.725 -169.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.27 -35.69 62.83 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.383 1.073 . . . . 0.0 112.493 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 15.5 mt . . . . . 0 CA--C 1.535 0.392 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 171.969 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.554 ' N ' ' HH ' ' B' ' 19' ' ' TYR 0.361 58.4 m . . . . . 0 CA--C 1.544 0.737 0 CA-C-O 116.821 -1.561 . . . . 0.0 114.836 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -75.16 60.72 5.63 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 CA-C-N 122.834 2.048 . . . . 0.0 110.588 176.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 mt -45.61 -61.12 1.83 Allowed 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 126.094 1.758 . . . . 0.0 110.504 -172.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -59.97 -44.78 94.24 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 112.33 0.492 . . . . 0.0 112.33 -171.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -62.53 -44.76 95.56 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 177.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.65 -54.51 10.13 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.248 0.546 . . . . 0.0 110.0 -169.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.5 mm -52.31 -52.47 24.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 170.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.79 -51.69 12.65 Favored Glycine 0 CA--C 1.525 0.677 0 C-N-CA 124.304 0.954 . . . . 0.0 112.179 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -59.89 -54.1 50.15 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 117.719 0.76 . . . . 0.0 110.215 178.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -60.53 -53.06 62.02 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.179 0.592 . . . . 0.0 110.992 -173.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mp -53.41 -50.7 47.03 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.263 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 171.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -45.64 -56.87 6.24 Favored Glycine 0 CA--C 1.525 0.681 0 C-N-CA 124.9 1.238 . . . . 0.0 111.916 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.1 tt -64.78 -49.98 77.54 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 CA-C-N 117.875 0.837 . . . . 0.0 110.931 177.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -58.21 -44.07 87.96 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.827 0.739 . . . . 0.0 111.531 -172.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -50.29 -30.05 11.06 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 126.174 1.789 . . . . 0.0 111.447 177.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -60.45 -47.99 83.72 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 119.534 1.061 . . . . 0.0 109.787 175.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -61.33 -49.57 76.46 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.0 m -48.2 -51.15 26.54 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.821 -0.172 . . . . 0.0 110.625 172.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.12 -56.95 9.47 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 125.424 1.488 . . . . 0.0 111.507 177.02 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -77.92 60.92 2.42 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 118.103 0.951 . . . . 0.0 111.233 174.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 62.88 26.55 15.62 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 126.4 1.88 . . . . 0.0 114.075 169.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.55 48.34 3.42 Favored Glycine 0 CA--C 1.532 1.12 0 CA-C-N 119.197 0.908 . . . . 0.0 111.923 175.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.7 t70 53.76 -75.21 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 128.057 2.543 . . . . 0.0 113.485 -178.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -150.01 -54.67 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 127.296 2.238 . . . . 0.0 106.199 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -151.47 60.39 0.89 Allowed 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.643 173.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.5 p -135.85 170.19 16.39 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 173.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.1 mt -118.91 113.84 21.67 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 126.162 1.785 . . . . 0.0 107.366 176.189 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.9 m -92.91 165.53 12.84 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 168.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -30.86 -52.59 0.18 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 127.527 2.331 . . . . 0.0 114.13 -171.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -63.7 -50.48 69.0 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.219 0.463 . . . . 0.0 111.257 -177.284 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -64.1 -43.16 96.19 Favored 'General case' 0 N--CA 1.455 -0.176 0 O-C-N 121.914 -0.491 . . . . 0.0 109.897 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 36.7 tp -58.0 -49.82 75.53 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.149 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.7 tmtm? -54.16 -49.39 69.4 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.824 0.849 . . . . 0.0 109.878 175.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -54.14 -53.48 52.77 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.59 0.632 . . . . 0.0 110.921 176.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.1 tp -54.65 -57.13 12.66 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.854 0.461 . . . . 0.0 110.045 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.6 mp -56.88 -47.49 82.97 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.245 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 -178.247 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -54.34 -50.6 67.04 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.53 0.732 . . . . 0.0 110.564 178.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.7 ttpp -59.46 -44.79 92.92 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 122.855 0.462 . . . . 0.0 110.912 177.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 . . . . . 0 CA--C 1.535 0.404 0 O-C-N 121.958 -0.464 . . . . 0.0 111.963 175.043 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 . . . . . 0 N--CA 1.446 -0.664 0 CA-C-O 117.798 -1.096 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.2 mp -63.53 -45.02 98.88 Favored 'Isoleucine or valine' 0 C--N 1.343 0.322 0 CA-C-N 120.873 1.669 . . . . 0.0 110.359 -174.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.8 t -55.85 -56.29 13.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 123.403 0.681 . . . . 0.0 109.54 178.213 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -56.2 -52.23 65.15 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 120.794 0.33 . . . . 0.0 110.674 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 79.0 mt -64.1 -49.88 70.49 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 118.994 -0.527 . . . . 0.0 110.609 -173.116 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.3 ptm -60.95 -41.98 97.34 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 119.195 0.907 . . . . 0.0 110.289 179.225 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -56.38 -54.48 45.02 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 117.831 0.287 . . . . 0.0 110.563 176.077 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -56.87 -48.38 78.25 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 121.133 0.492 . . . . 0.0 111.968 178.429 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 65.7 mt -76.27 -35.18 59.05 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.062 0.545 . . . . 0.0 112.235 -169.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -78.56 62.83 3.23 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 119.031 0.832 . . . . 0.0 111.926 -174.078 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 47.7 mtm-85 -74.91 64.5 1.31 Allowed 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 168.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 48.7 35.47 6.36 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.126 1.37 . . . . 0.0 111.471 -167.546 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -87.83 -13.79 41.22 Favored 'General case' 0 C--O 1.223 -0.318 0 C-N-CA 123.876 0.87 . . . . 0.0 111.547 -179.248 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -48.39 -23.95 1.09 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.099 0.96 . . . . 0.0 113.46 176.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -55.25 -59.48 4.73 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.236 1.014 . . . . 0.0 110.292 168.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -148.32 108.63 4.12 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.825 1.65 . . . . 0.0 110.652 171.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.9 t -92.36 127.31 44.64 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.102 0 N-CA-C 104.736 -2.32 . . . . 0.0 104.736 169.007 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -89.94 152.29 21.29 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 119.796 1.18 . . . . 0.0 110.461 -168.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -41.93 -44.06 3.3 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.966 0.907 . . . . 0.0 113.089 174.113 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -61.0 -37.85 83.99 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.23 -0.919 . . . . 0.0 111.01 178.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -67.41 -40.53 85.57 Favored 'General case' 0 N--CA 1.454 -0.275 0 O-C-N 121.452 -0.78 . . . . 0.0 109.764 173.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -56.75 -44.96 82.25 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.61 0.641 . . . . 0.0 110.634 173.493 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.47 -43.85 94.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 O-C-N 121.408 -0.807 . . . . 0.0 110.356 179.199 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.3 m -59.31 -43.91 92.59 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.767 -0.583 . . . . 0.0 109.457 177.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -53.98 -46.02 71.58 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.708 1.203 . . . . 0.0 110.53 170.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.55 -49.39 76.51 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 177.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -52.0 -55.69 20.05 Favored Glycine 0 N--CA 1.447 -0.571 0 CA-C-O 119.247 -0.752 . . . . 0.0 111.709 177.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.55 -55.48 28.81 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 117.789 0.795 . . . . 0.0 110.598 178.155 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.9 tp -53.8 -42.51 68.45 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.874 1.27 . . . . 0.0 111.041 -177.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.36 -65.28 0.75 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.167 0.587 . . . . 0.0 110.604 176.067 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 13.9 ptm -59.38 -26.92 65.51 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.82 0.848 . . . . 0.0 113.207 -168.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.0 tt -51.76 -31.84 13.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 CA-C-N 119.18 0.9 . . . . 0.0 111.136 174.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -72.29 14.59 0.22 Allowed 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.272 0.842 . . . . 0.0 113.272 177.136 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -30.83 -50.41 0.14 Allowed 'General case' 0 C--N 1.342 0.251 0 C-N-CA 127.121 2.168 . . . . 0.0 113.95 175.41 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -56.47 -38.29 71.49 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.123 0.569 . . . . 0.0 111.961 -176.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -81.89 -52.42 7.1 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 176.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 CA--C 1.532 0.277 0 C-N-CA 123.653 0.781 . . . . 0.0 112.194 -175.266 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 CA--C 1.536 0.423 0 CA-C-O 118.866 -0.587 . . . . 0.0 109.892 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -54.92 -47.68 25.3 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 122.683 2.256 . . . . 0.0 110.808 -177.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 88.6 mt -56.82 -39.98 75.17 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 122.85 0.46 . . . . 0.0 111.216 175.043 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -66.81 -49.08 66.95 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 122.058 -0.401 . . . . 0.0 110.066 -176.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -63.28 -33.92 76.56 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 119.78 -0.768 . . . . 0.0 111.473 173.266 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.38 -50.42 72.96 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 119.287 0.949 . . . . 0.0 110.317 177.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 78.7 mt -57.59 -46.83 86.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 174.149 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.15 -55.36 10.42 Favored Glycine 0 CA--C 1.529 0.958 0 C-N-CA 123.854 0.74 . . . . 0.0 111.597 175.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 7.3 mp -55.47 -56.05 24.72 Favored 'General case' 0 C--O 1.226 -0.175 0 C-N-CA 123.522 0.729 . . . . 0.0 109.553 175.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 24.4 tp -50.31 -56.44 11.26 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.184 0.447 . . . . 0.0 111.202 -176.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 47.1 mm -63.33 -50.17 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 C-N-CA 123.051 0.54 . . . . 0.0 109.895 -178.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.95 -49.57 61.92 Favored Glycine 0 CA--C 1.53 0.99 0 CA-C-N 118.68 0.673 . . . . 0.0 111.646 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 90.8 mt -57.56 -53.78 39.86 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 175.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -53.57 -44.43 69.31 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.812 -0.555 . . . . 0.0 111.654 -179.341 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -42.82 71.92 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.706 1.202 . . . . 0.0 110.836 175.019 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 51.3 tttm -55.8 -42.73 76.04 Favored 'General case' 0 C--N 1.34 0.169 0 CA-C-N 118.095 0.407 . . . . 0.0 109.919 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' TYR . . . . . 0.554 ' HH ' ' N ' ' A' ' 3' ' ' SER . 90.2 m-85 -72.1 -71.3 0.29 Allowed 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 174.395 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 37.9 p -51.91 -30.23 23.37 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.17 0.988 . . . . 0.0 113.495 -169.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -50.24 -42.84 41.99 Favored Glycine 0 CA--C 1.527 0.842 0 O-C-N 121.362 -0.836 . . . . 0.0 113.945 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 4.5 ptpp? -74.4 -33.51 63.03 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.561 1.18 . . . . 0.0 112.939 -169.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -164.75 30.4 0.07 Allowed 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.136 0.425 . . . . 0.0 111.606 -171.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.97 -11.32 84.82 Favored Glycine 0 CA--C 1.527 0.794 0 O-C-N 120.808 -1.183 . . . . 0.0 112.785 -173.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 25.7 t70 70.68 -63.32 0.41 Allowed 'General case' 0 C--N 1.339 0.132 0 C-N-CA 126.407 1.883 . . . . 0.0 109.891 -169.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.01 -154.84 0.66 Allowed 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 169.366 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -75.81 62.09 1.5 Allowed 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.836 0.827 . . . . 0.0 109.487 174.277 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 16.4 p -144.65 170.06 16.8 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 128.434 2.694 . . . . 0.0 105.29 -174.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 12.0 tp -118.71 141.11 48.92 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.195 0.998 . . . . 0.0 109.922 -169.06 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 78.6 p -121.2 162.45 20.14 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.176 0.99 . . . . 0.0 113.217 -176.155 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -44.46 -45.92 9.38 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.752 1.221 . . . . 0.0 112.788 178.38 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -55.78 -39.59 71.47 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 121.625 -0.672 . . . . 0.0 110.761 178.03 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -77.13 -30.82 55.35 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.673 0.789 . . . . 0.0 110.131 -178.516 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.93 -46.29 89.99 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 121.424 -0.797 . . . . 0.0 109.129 168.276 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -59.76 -41.09 90.26 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.308 -0.87 . . . . 0.0 110.756 175.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -53.75 -52.13 61.17 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.638 -0.664 . . . . 0.0 109.696 171.312 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 58.4 tp -55.34 -49.91 71.01 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.042 0.537 . . . . 0.0 110.934 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 95.7 mt -53.06 -54.27 17.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 176.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -56.88 -37.44 71.37 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 122.412 -0.18 . . . . 0.0 111.401 178.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 C-N-CA 123.262 0.625 . . . . 0.0 111.084 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 38.9 tp . . . . . 0 CA--C 1.534 0.328 0 N-CA-C 110.707 -0.108 . . . . 0.0 110.707 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 2.2 ttp -55.64 -52.32 64.22 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.382 0.673 . . . . 0.0 109.794 172.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -55.33 -47.35 75.82 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 122.03 -0.418 . . . . 0.0 110.799 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -57.13 -53.12 61.67 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.825 0.85 . . . . 0.0 109.998 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 21.5 tp -53.77 -44.65 70.23 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 123.949 0.9 . . . . 0.0 110.908 175.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -68.84 -12.78 61.91 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 177.166 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 51.43 36.44 16.63 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 -168.031 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 76.8 -22.94 0.26 Allowed 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 128.575 2.75 . . . . 0.0 114.36 -175.377 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -78.47 67.89 4.35 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 120.973 -1.079 . . . . 0.0 110.949 -175.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -70.41 76.82 0.56 Allowed 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.552 -0.717 . . . . 0.0 110.935 179.251 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.49 -85.54 0.12 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 126.132 1.773 . . . . 0.0 108.192 178.257 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -138.62 138.11 37.56 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 106.53 -1.655 . . . . 0.0 106.53 168.382 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 34.5 m -139.25 158.21 28.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 124.661 1.184 . . . . 0.0 109.751 -171.166 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -93.32 153.32 18.62 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.054 0.542 . . . . 0.0 111.103 -169.272 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 93.6 t80 -45.45 -38.67 6.32 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.503 1.121 . . . . 0.0 113.131 173.09 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.0 tm0? -45.82 -42.78 12.72 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.134 -0.978 . . . . 0.0 111.241 172.012 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -73.69 -30.82 63.1 Favored 'General case' 0 N--CA 1.449 -0.507 0 O-C-N 121.456 -0.777 . . . . 0.0 109.859 -177.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -62.2 -46.36 89.23 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 121.67 -0.643 . . . . 0.0 110.352 169.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 23.9 mm -57.9 -47.22 86.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 O-C-N 122.022 -0.424 . . . . 0.0 109.948 173.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 23.5 m -56.8 -43.91 81.41 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 177.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -54.81 -50.39 68.68 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 124.04 0.936 . . . . 0.0 111.321 172.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 16.4 tp -55.41 -52.04 64.88 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 177.248 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -49.47 -59.38 7.21 Favored Glycine 0 C--N 1.336 0.53 0 C-N-CA 124.027 0.822 . . . . 0.0 111.693 177.506 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.47 -55.65 29.35 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 124.079 0.952 . . . . 0.0 110.34 -179.14 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 43.7 tp -57.06 -52.53 64.91 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.505 0.722 . . . . 0.0 110.657 -175.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.83 -47.45 85.65 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 122.057 -0.402 . . . . 0.0 111.192 178.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 28.6 ttt -62.91 -36.76 84.45 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 122.105 -0.372 . . . . 0.0 111.238 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 51.4 mt -62.15 -42.62 95.84 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 C-N-CA 124.172 0.989 . . . . 0.0 109.16 174.019 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -73.76 52.61 0.42 Allowed 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.727 0.775 . . . . 0.0 110.515 169.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -62.26 -48.53 79.49 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.675 0.79 . . . . 0.0 110.234 -169.208 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.65 -47.32 50.03 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.737 0.815 . . . . 0.0 111.738 177.179 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.76 -45.89 73.65 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 122.821 0.448 . . . . 0.0 110.324 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 34.7 tp . . . . . 0 CA--C 1.539 0.522 0 C-N-CA 123.331 0.653 . . . . 0.0 111.738 177.833 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.3 p . . . . . 0 N--CA 1.45 -0.47 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -51.86 -43.56 50.93 Favored 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 122.49 2.126 . . . . 0.0 111.308 169.448 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 11.0 mp -55.59 -55.09 36.05 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 175.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -63.17 -33.32 75.23 Favored 'General case' 0 C--O 1.226 -0.176 0 O-C-N 121.862 -0.524 . . . . 0.0 112.159 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -59.5 -49.58 77.22 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.701 0.682 . . . . 0.0 109.331 172.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.83 -52.96 61.11 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 122.777 0.431 . . . . 0.0 110.006 -176.409 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 78.0 mt -52.0 -52.97 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 175.097 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.87 -54.53 9.17 Favored Glycine 0 CA--C 1.525 0.718 0 C-N-CA 125.164 1.364 . . . . 0.0 111.743 177.444 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 36.6 mt -59.35 -49.9 76.03 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 117.548 0.674 . . . . 0.0 110.742 178.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.9 mt -57.43 -55.51 33.82 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 123.302 0.641 . . . . 0.0 111.465 -178.195 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.5 pt -66.72 -33.49 63.8 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.362 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.11 -60.36 9.06 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 175.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.8 tt -63.2 -34.55 67.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 118.074 0.937 . . . . 0.0 110.518 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -56.15 -50.55 70.82 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.679 -0.638 . . . . 0.0 111.37 173.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -60.27 -35.71 76.16 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 124.286 1.034 . . . . 0.0 109.495 176.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -60.68 -55.3 34.87 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.467 0.576 . . . . 0.0 109.55 176.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -54.8 -57.15 12.72 Favored 'General case' 0 C--N 1.34 0.166 0 CA-C-O 121.023 0.44 . . . . 0.0 110.27 177.233 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.6 t -51.49 -37.26 48.2 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.237 0.615 . . . . 0.0 111.062 178.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.15 -34.85 53.61 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 124.716 1.151 . . . . 0.0 112.71 175.087 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -74.63 61.36 0.96 Allowed 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.613 1.206 . . . . 0.0 110.599 178.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 54.74 34.16 21.14 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.231 1.413 . . . . 0.0 112.546 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.99 -42.32 5.36 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 108.463 -1.855 . . . . 0.0 108.463 168.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.2 t70 70.11 -64.95 0.34 Allowed 'General case' 0 C--N 1.34 0.187 0 C-N-CA 127.093 2.157 . . . . 0.0 111.981 173.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -73.18 154.41 40.3 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 174.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -77.71 65.09 3.12 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 122.099 0.952 . . . . 0.0 110.106 -177.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 58.5 p -138.05 159.46 41.97 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 105.978 -1.86 . . . . 0.0 105.978 172.348 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.0 mt -94.47 122.82 37.44 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 106.364 -1.717 . . . . 0.0 106.364 169.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.6 t -93.75 173.17 7.81 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.814 0.845 . . . . 0.0 109.806 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.6 mttp -37.65 -58.75 0.86 Allowed 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 126.988 2.115 . . . . 0.0 111.277 -177.313 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -59.65 -38.97 82.87 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.955 0.902 . . . . 0.0 112.085 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -69.83 -43.31 72.24 Favored 'General case' 0 N--CA 1.455 -0.195 0 O-C-N 121.467 -0.77 . . . . 0.0 109.932 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 54.3 tp -57.96 -46.97 84.28 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 173.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -54.75 -51.86 64.35 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.543 0.337 . . . . 0.0 110.361 175.304 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -53.0 -50.86 63.34 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.273 0.488 . . . . 0.0 110.556 177.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.1 tp -55.28 -55.51 30.62 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 122.251 -0.281 . . . . 0.0 110.296 178.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 71.4 mt -52.8 -47.18 51.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 C-N-CA 123.749 0.82 . . . . 0.0 110.297 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -58.26 -49.35 77.43 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.576 1.15 . . . . 0.0 110.4 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -64.97 -44.67 88.59 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 122.534 0.334 . . . . 0.0 111.323 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 . . . . . 0 CA--C 1.534 0.342 0 CA-C-N 117.908 0.322 . . . . 0.0 110.767 172.858 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 . . . . . 0 CA--C 1.536 0.424 0 CA-C-O 118.692 -0.671 . . . . 0.0 111.809 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 41.4 mm -62.11 -43.46 97.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 CA-C-N 119.994 1.27 . . . . 0.0 110.282 173.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 79.8 t -60.66 -45.52 97.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 O-C-N 121.476 -0.765 . . . . 0.0 109.929 176.069 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -55.75 -49.02 74.23 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.92 -0.487 . . . . 0.0 110.248 175.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.4 tp -57.51 -51.61 68.76 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.378 0.671 . . . . 0.0 110.176 177.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 27.4 ttt -49.91 -53.74 24.11 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.78 0.832 . . . . 0.0 109.652 177.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -58.39 -50.45 73.64 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 122.64 0.376 . . . . 0.0 111.405 177.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -53.63 -42.15 67.48 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.882 0.873 . . . . 0.0 111.753 -178.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.3 mt -77.25 -64.06 1.23 Allowed 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.296 0.569 . . . . 0.0 110.039 176.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -78.27 73.28 4.83 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.334 1.054 . . . . 0.0 109.317 178.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 84.1 mtm-85 -73.34 69.16 1.12 Allowed 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 174.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 56.58 40.34 29.44 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.546 1.538 . . . . 0.0 111.113 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -82.17 60.22 4.83 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 174.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.1 t70 56.61 -85.6 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.48 1.512 . . . . 0.0 109.4 -168.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -158.03 32.5 0.25 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.649 1.179 . . . . 0.0 109.158 169.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -106.94 170.58 7.86 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 125.482 1.513 . . . . 0.0 107.465 -178.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 81.1 t -126.06 131.28 71.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 106.358 -1.719 . . . . 0.0 106.358 169.123 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -93.16 152.13 19.42 Favored 'General case' 0 CA--C 1.53 0.201 0 O-C-N 121.641 -0.662 . . . . 0.0 109.586 -174.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -45.6 -43.09 11.95 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 174.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.08 -47.95 44.63 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.81 0.814 . . . . 0.0 110.195 173.608 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -70.95 -34.65 71.67 Favored 'General case' 0 N--CA 1.447 -0.59 0 O-C-N 121.804 -0.56 . . . . 0.0 110.819 -177.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -58.98 -48.98 79.63 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 118.897 0.771 . . . . 0.0 110.686 170.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 40.3 mm -55.72 -53.86 32.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 O-C-N 121.881 -0.512 . . . . 0.0 110.123 174.26 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 21.1 m -57.27 -38.32 73.72 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 121.942 -0.474 . . . . 0.0 110.403 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -63.55 -42.42 98.39 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 125.175 1.39 . . . . 0.0 110.526 177.21 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.7 tt -53.9 -50.04 67.24 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 172.128 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.94 -57.14 9.02 Favored Glycine 0 CA--C 1.527 0.787 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.753 172.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.35 -48.97 70.83 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.356 1.063 . . . . 0.0 111.773 -178.039 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 80.5 mt -54.25 -58.81 5.97 Favored 'General case' 0 CA--C 1.528 0.12 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 177.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.65 -43.41 76.24 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 27.5 ttp -62.36 -14.16 36.93 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 125.503 1.521 . . . . 0.0 113.093 -173.078 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.7 tp -58.84 -35.68 57.39 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-N 119.101 0.864 . . . . 0.0 109.787 169.161 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 64.9 -50.87 0.33 Allowed 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 128.349 2.66 . . . . 0.0 115.042 176.219 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -44.84 119.88 2.12 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 119.288 0.949 . . . . 0.0 111.407 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 67.61 -63.49 0.3 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.965 1.706 . . . . 0.0 111.752 -171.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.67 -49.92 3.05 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 125.733 1.613 . . . . 0.0 112.859 -175.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 38.1 tp . . . . . 0 C--O 1.225 -0.206 0 C-N-CA 123.885 0.874 . . . . 0.0 112.326 -175.288 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.537 0.445 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -50.56 -49.59 16.18 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 123.469 2.779 . . . . 0.0 112.241 -175.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.448 HD22 ' H ' ' B' ' 5' ' ' LEU . 3.2 mm? -52.16 -53.51 42.16 Favored 'General case' 0 C--O 1.226 -0.18 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 175.534 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -63.69 -49.35 73.49 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 122.648 0.379 . . . . 0.0 110.852 -172.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -53.14 -48.21 68.1 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.086 0.554 . . . . 0.0 109.518 175.212 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.18 -57.17 6.46 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 120.827 0.346 . . . . 0.0 110.61 -172.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 91.6 mt -53.27 -50.41 47.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 124.231 1.012 . . . . 0.0 108.521 177.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.75 -57.75 10.33 Favored Glycine 0 CA--C 1.524 0.644 0 C-N-CA 124.4 1.0 . . . . 0.0 111.473 178.473 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 71.7 mt -54.9 -55.26 32.45 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 117.314 0.557 . . . . 0.0 110.391 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 44.5 mt -55.78 -57.87 10.21 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 122.445 0.298 . . . . 0.0 111.028 -176.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.431 HD12 ' HA ' ' B' ' 13' ' ' ILE . 8.6 tp -66.11 -40.87 88.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 O-C-N 122.236 -0.29 . . . . 0.0 110.381 -174.184 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.07 -59.15 11.15 Favored Glycine 0 C--N 1.337 0.613 0 N-CA-C 110.281 -1.127 . . . . 0.0 110.281 175.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 88.1 mt -53.38 -48.8 56.22 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 O-C-N 122.197 -0.59 . . . . 0.0 109.439 178.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -56.68 -46.2 81.31 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.246 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -58.89 -47.58 84.44 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.113 0.565 . . . . 0.0 110.156 175.23 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 56.7 mttm -65.76 -45.45 82.49 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.061 0.458 . . . . 0.0 109.913 -171.098 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -80.59 -82.44 0.12 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.513 177.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.46 -39.78 81.3 Favored 'General case' 0 N--CA 1.449 -0.483 0 O-C-N 120.875 -1.141 . . . . 0.0 111.484 -169.062 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.92 -62.88 5.87 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 178.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.21 -42.44 99.29 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 117.455 0.628 . . . . 0.0 111.607 -177.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -86.05 -51.45 6.32 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.218 0.463 . . . . 0.0 112.035 -170.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.2 -36.78 9.57 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 124.167 0.889 . . . . 0.0 111.838 -175.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 7.9 t70 60.48 -157.69 0.33 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.678 1.191 . . . . 0.0 109.384 -171.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? 39.12 32.76 0.07 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 127.033 2.133 . . . . 0.0 113.852 -176.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 44.3 m80 39.98 47.64 1.97 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.087 1.355 . . . . 0.0 112.29 -170.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 5.8 t -144.05 160.37 41.0 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 122.739 1.257 . . . . 0.0 111.993 -171.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 9.2 mp -101.71 165.41 11.23 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 127.686 2.394 . . . . 0.0 105.044 165.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 79.3 p -130.12 170.03 14.57 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 126.816 2.046 . . . . 0.0 106.093 169.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 33.6 tttp -54.42 -39.87 67.76 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 171.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -60.11 -58.96 6.29 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.847 0.859 . . . . 0.0 110.59 177.116 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -56.05 -43.88 78.33 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 118.196 0.453 . . . . 0.0 110.584 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 57.4 tp -59.24 -52.35 66.03 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.27 0.628 . . . . 0.0 109.904 -179.289 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -52.56 -53.97 39.2 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 124.212 1.005 . . . . 0.0 110.042 176.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -54.51 -53.39 55.06 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 122.845 0.458 . . . . 0.0 110.589 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 55.5 tp -54.97 -56.94 14.06 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 97.7 mt -59.19 -48.32 87.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -174.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.42 -43.75 79.72 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 118.363 0.529 . . . . 0.0 110.628 178.138 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm . . . . . 0 N--CA 1.454 -0.259 0 C-N-CA 122.544 0.338 . . . . 0.0 110.757 -179.72 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 51.3 tp . . . . . 0 CA--C 1.536 0.44 0 CA-C-O 120.87 0.367 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 70.0 mtm -57.2 -49.25 76.59 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.213 0.605 . . . . 0.0 110.478 176.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -56.77 -45.52 82.04 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.422 0.555 . . . . 0.0 111.44 178.013 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -61.24 -47.87 84.07 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.564 0.746 . . . . 0.0 110.227 -178.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 56.2 mt -69.31 -61.01 1.96 Allowed 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 120.755 0.312 . . . . 0.0 110.347 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -78.19 56.69 1.71 Allowed 'General case' 0 C--O 1.233 0.197 0 C-N-CA 123.919 0.888 . . . . 0.0 109.921 176.39 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.08 80.65 1.73 Allowed 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 106.907 -1.516 . . . . 0.0 106.907 175.107 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 19.2 m-20 84.96 -35.05 0.05 Allowed 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 126.775 2.03 . . . . 0.0 110.78 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -72.9 52.05 0.3 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.642 1.177 . . . . 0.0 112.516 -178.316 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -49.98 -37.75 33.82 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.877 1.271 . . . . 0.0 113.278 -171.594 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -103.3 -5.8 22.66 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.578 0.751 . . . . 0.0 112.043 -177.421 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -132.83 67.86 1.52 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.305 0.957 . . . . 0.0 113.448 -167.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 78.5 t -98.17 97.43 6.11 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 N-CA-C 103.522 -2.769 . . . . 0.0 103.522 166.379 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -87.22 158.62 19.07 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-O 121.209 0.528 . . . . 0.0 112.131 -164.32 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -39.87 -49.2 2.39 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.208 1.403 . . . . 0.0 113.446 176.282 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 27.5 mm100 -64.85 -31.0 72.03 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 120.84 -1.162 . . . . 0.0 111.836 178.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -70.28 -37.94 74.95 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.23 -0.919 . . . . 0.0 109.84 172.305 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -59.58 -46.14 89.81 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.808 0.731 . . . . 0.0 110.095 172.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 16.6 mm -55.81 -50.67 66.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 O-C-N 121.717 -0.614 . . . . 0.0 110.339 173.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 28.8 m -56.46 -40.8 75.44 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.602 -0.686 . . . . 0.0 110.234 177.149 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -63.11 -38.52 91.49 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.062 0.545 . . . . 0.0 111.313 175.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 tt -55.21 -51.42 66.62 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 170.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.15 -53.07 16.09 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 123.398 0.523 . . . . 0.0 111.969 174.346 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.51 -47.77 84.23 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 117.64 0.72 . . . . 0.0 111.566 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 35.0 tp -59.42 -45.85 90.38 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.135 0.974 . . . . 0.0 109.918 -178.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.35 -52.55 65.13 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 171.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 17.1 tmm? -50.89 -48.72 60.32 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 123.85 0.86 . . . . 0.0 111.32 -177.575 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 44.7 pt -65.32 -19.44 25.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 118.952 0.796 . . . . 0.0 112.963 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 12.2 m-30 -70.76 -13.62 62.12 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 119.566 1.076 . . . . 0.0 111.235 170.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 38.4 t30 34.64 -73.89 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 130.198 3.399 . . . . 0.0 116.227 168.151 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 86' ' ' GLU . . . . . 0.418 ' CD ' ' H ' ' B' ' 86' ' ' GLU . 23.7 mp0 -52.09 -41.91 62.79 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.755 0.822 . . . . 0.0 109.638 176.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.9 -31.59 50.47 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.469 0.708 . . . . 0.0 112.219 176.278 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 14.5 mt . . . . . 0 CA--C 1.534 0.358 0 C-N-CA 124.211 1.004 . . . . 0.0 111.143 -179.719 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 CA--C 1.534 0.345 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_exo -46.6 -50.25 10.78 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 123.813 3.009 . . . . 0.0 114.162 -174.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.9 tp -59.42 -42.93 92.98 Favored 'General case' 0 CA--C 1.528 0.116 0 O-C-N 121.683 -0.636 . . . . 0.0 110.714 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -64.86 -41.04 96.01 Favored 'General case' 0 N--CA 1.455 -0.201 0 O-C-N 121.918 -0.489 . . . . 0.0 110.679 178.175 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -58.11 -44.54 87.75 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 122.244 -0.285 . . . . 0.0 110.311 172.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.13 -51.32 66.98 Favored 'General case' 0 N--CA 1.457 -0.099 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -177.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 86.5 mt -51.72 -51.23 28.31 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.205 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 173.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.65 -52.8 19.1 Favored Glycine 0 CA--C 1.529 0.964 0 C-N-CA 124.332 0.968 . . . . 0.0 111.905 176.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -57.18 -55.81 29.86 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.7 mp -51.8 -60.63 2.95 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.914 0.886 . . . . 0.0 111.442 -178.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 pp -58.96 -43.67 89.26 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.141 0 CA-C-N 118.177 0.444 . . . . 0.0 110.022 -177.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.66 -60.93 8.1 Favored Glycine 0 C--N 1.338 0.646 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 -179.098 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 16.1 tt -62.96 -41.31 92.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.229 -177.312 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -62.19 -41.87 98.76 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 118.594 0.633 . . . . 0.0 111.681 -178.051 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -59.0 -44.1 91.61 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 122.961 0.504 . . . . 0.0 110.625 173.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -65.88 -62.58 1.42 Allowed 'General case' 0 CA--C 1.528 0.129 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -178.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -51.85 -81.43 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 127.273 2.229 . . . . 0.0 110.463 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.86 70.08 8.69 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.175 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 178.36 -62.17 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.429 0 N-CA-C 111.415 -0.674 . . . . 0.0 111.415 174.018 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.61 -39.52 14.02 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -114.64 31.57 6.55 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.632 1.173 . . . . 0.0 110.657 -173.285 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.46 175.91 37.14 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 109.188 -1.565 . . . . 0.0 109.188 -171.316 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -63.75 151.0 43.28 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.584 0.753 . . . . 0.0 110.997 -172.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.2 94.43 0.15 Allowed 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 125.329 1.451 . . . . 0.0 111.654 -168.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 59.04 35.68 24.04 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 126.013 1.725 . . . . 0.0 111.68 170.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.4 t -145.15 141.61 28.9 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 177.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 tt -111.13 129.81 55.82 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 125.876 1.671 . . . . 0.0 107.753 -173.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.6 t -145.27 174.7 10.87 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 126.792 2.037 . . . . 0.0 108.593 -178.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.46 -33.43 9.34 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.973 0.909 . . . . 0.0 112.386 178.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -55.72 -55.39 32.87 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.055 0.942 . . . . 0.0 110.129 173.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.2 mp0 -65.95 -39.72 90.71 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.291 0.637 . . . . 0.0 109.479 -177.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.97 -55.56 31.29 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 174.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -50.97 -54.9 20.33 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.612 1.165 . . . . 0.0 109.81 178.095 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -57.08 -43.2 81.92 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 117.902 0.319 . . . . 0.0 111.656 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.4 tp -59.46 -54.98 40.38 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 118.323 0.511 . . . . 0.0 110.773 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 36.6 pt -64.66 -39.39 85.46 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.235 0 C-N-CA 120.029 -0.668 . . . . 0.0 110.442 -178.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -54.76 -49.05 71.8 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 121.589 -0.694 . . . . 0.0 110.355 175.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -66.53 -54.58 22.16 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.092 0.557 . . . . 0.0 111.306 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 . . . . . 0 CA--C 1.53 0.183 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -169.838 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 . . . . . 0 N--CA 1.447 -0.621 0 CA-C-O 117.031 -1.461 . . . . 0.0 112.033 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.6 pt -62.68 -45.39 98.95 Favored 'Isoleucine or valine' 0 C--N 1.346 0.428 0 CA-C-N 121.935 2.152 . . . . 0.0 110.569 -177.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.9 p -66.62 -42.82 90.4 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.623 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 65.8 tttp -57.97 -49.17 77.71 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 118.318 0.508 . . . . 0.0 110.461 176.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.1 mt -63.26 -48.07 79.73 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 122.777 0.431 . . . . 0.0 109.92 -178.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -51.31 -50.35 59.54 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.545 0.611 . . . . 0.0 110.127 173.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -59.66 -51.02 71.58 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 120.592 0.234 . . . . 0.0 111.053 -178.558 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -55.94 -50.26 71.23 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.666 0.787 . . . . 0.0 111.587 178.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 51.0 mt -79.91 -47.75 14.54 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.298 0.639 . . . . 0.0 111.995 -169.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -118.18 -31.52 4.98 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 124.207 1.003 . . . . 0.0 112.705 -169.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.42 -62.83 0.43 Allowed 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 124.147 0.979 . . . . 0.0 111.353 175.373 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -134.96 -68.13 0.54 Allowed 'General case' 0 N--CA 1.457 -0.099 0 C-N-CA 123.888 0.875 . . . . 0.0 110.398 -177.424 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -151.5 160.6 43.63 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 32.77 56.22 0.42 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 127.252 2.221 . . . . 0.0 115.679 169.087 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -135.95 147.16 47.95 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 168.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -142.5 150.13 40.08 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 105.941 -1.874 . . . . 0.0 105.941 -178.102 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 6.0 m -110.11 147.45 14.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 176.147 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -90.63 166.63 13.07 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.239 -0.913 . . . . 0.0 109.6 -169.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -37.94 -49.45 1.24 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.508 1.123 . . . . 0.0 113.442 173.195 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -58.68 -37.23 75.59 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.535 1.061 . . . . 0.0 111.242 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -73.97 -34.03 64.08 Favored 'General case' 0 N--CA 1.452 -0.36 0 O-C-N 121.338 -0.852 . . . . 0.0 111.165 176.251 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -52.66 -53.43 47.31 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 119.29 0.95 . . . . 0.0 109.502 171.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -51.28 74.48 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.289 0 C-N-CA 119.289 -0.964 . . . . 0.0 110.19 175.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.9 m -49.26 -44.63 43.94 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.155 0.889 . . . . 0.0 111.465 -179.239 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -61.5 -47.49 85.38 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.473 1.109 . . . . 0.0 110.519 176.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.3 tt -48.2 -52.35 21.3 Favored 'General case' 0 C--N 1.342 0.268 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 172.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.67 -52.41 45.86 Favored Glycine 0 C--O 1.225 -0.463 0 CA-C-O 119.367 -0.685 . . . . 0.0 111.72 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.34 -54.71 43.73 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 118.395 1.098 . . . . 0.0 110.821 178.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -54.11 -42.52 69.53 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 125.916 1.686 . . . . 0.0 110.791 -177.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.95 -47.44 45.45 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.848 0.859 . . . . 0.0 111.223 178.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 27.5 ttt -67.44 -41.48 84.69 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 123.632 0.773 . . . . 0.0 111.938 -169.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 18.4 tt -39.42 -42.96 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 C-N-CA 124.797 1.239 . . . . 0.0 114.284 -169.317 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -57.71 -41.91 82.69 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.893 -0.505 . . . . 0.0 111.805 -179.048 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 60.18 -69.18 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 127.159 2.184 . . . . 0.0 112.727 -179.194 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -50.75 -41.88 56.99 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 124.646 1.178 . . . . 0.0 110.934 179.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.15 -31.07 68.64 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 178.147 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 61.7 mt . . . . . 0 N--CA 1.456 -0.17 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 177.576 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 CA--C 1.537 0.48 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -54.77 -40.22 85.88 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 123.104 2.536 . . . . 0.0 111.782 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -57.45 -37.81 73.45 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.572 -0.705 . . . . 0.0 112.156 173.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -68.87 -42.45 77.02 Favored 'General case' 0 N--CA 1.457 -0.088 0 O-C-N 121.386 -0.821 . . . . 0.0 110.037 177.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -54.41 -44.53 72.43 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 171.478 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.14 -43.98 96.84 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.036 0.535 . . . . 0.0 111.194 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 84.9 mt -54.51 -48.14 70.38 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 171.313 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.05 -55.43 11.87 Favored Glycine 0 CA--C 1.529 0.939 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 173.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 96.0 mt -56.9 -46.73 81.72 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 117.56 0.68 . . . . 0.0 111.061 177.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 34.8 tp -59.08 -47.52 84.94 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.238 0.615 . . . . 0.0 110.624 -178.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 92.3 mt -58.06 -48.68 83.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 173.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -44.45 -61.56 3.19 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 124.638 1.114 . . . . 0.0 111.029 175.343 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 68.6 mt -54.67 -62.32 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 124.389 1.076 . . . . 0.0 109.416 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -56.73 -54.58 44.58 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -169.462 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -62.17 -30.83 71.33 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-O 119.484 -0.293 . . . . 0.0 110.728 -175.078 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -62.48 -50.63 70.65 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.409 0.55 . . . . 0.0 109.793 -178.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -70.17 -58.24 4.02 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 177.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 88.3 p -61.42 -23.15 65.63 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -174.244 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.19 -31.19 33.52 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 124.79 1.186 . . . . 0.0 112.493 171.172 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -76.11 60.71 1.48 Allowed 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.773 1.286 . . . . 0.0 109.784 174.11 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 161.94 -63.18 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 128.748 2.819 . . . . 0.0 105.407 -169.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.47 -66.44 1.3 Allowed Glycine 0 CA--C 1.527 0.841 0 C-N-CA 124.644 1.116 . . . . 0.0 112.891 169.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -41.63 -56.78 2.49 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.658 1.583 . . . . 0.0 113.301 -169.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 27.5 mtmm -100.05 17.9 19.92 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 118.819 -0.61 . . . . 0.0 111.867 -177.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 20.21 78.05 0.01 OUTLIER 'General case' 0 C--N 1.345 0.393 0 C-N-CA 127.097 2.159 . . . . 0.0 112.9 -168.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 8.5 t -141.33 149.45 41.2 Favored 'General case' 0 N--CA 1.436 -1.143 0 CA-C-N 114.151 -1.386 . . . . 0.0 108.013 -172.006 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 65.8 mt -92.5 104.7 16.99 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 105.448 -2.056 . . . . 0.0 105.448 169.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.35 170.89 9.42 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 106.851 -1.537 . . . . 0.0 106.851 170.331 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -41.73 -52.76 3.83 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.186 0.994 . . . . 0.0 113.358 -169.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.37 -55.74 28.08 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 121.063 0.459 . . . . 0.0 110.797 -179.179 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -60.02 -44.99 94.24 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.992 0.917 . . . . 0.0 110.318 -177.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 8.5 tt -56.81 -56.47 21.17 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.446 1.098 . . . . 0.0 109.686 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -53.57 -50.36 65.74 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.614 0.766 . . . . 0.0 110.141 177.52 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -53.59 -50.62 65.23 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 122.73 0.412 . . . . 0.0 110.143 178.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.7 tt -55.36 -56.88 15.05 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.107 0.563 . . . . 0.0 110.677 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 36.6 pt -64.52 -30.75 51.09 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 C-N-CA 120.016 -0.674 . . . . 0.0 112.054 -176.131 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -65.4 -61.89 1.85 Allowed 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 118.513 0.597 . . . . 0.0 110.39 172.177 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? . . . . . 0 N--CA 1.46 0.065 0 C-N-CA 123.28 0.632 . . . . 0.0 111.258 -176.29 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 62.8 mt . . . . . 0 CA--C 1.531 0.22 0 N-CA-C 110.453 -0.203 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 50.5 mtt -56.35 -52.08 65.91 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 117.815 0.28 . . . . 0.0 110.388 175.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -56.27 -53.55 55.96 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 122.815 0.446 . . . . 0.0 110.846 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -51.64 -50.46 60.28 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 123.3 0.64 . . . . 0.0 110.573 177.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 24.4 tp -61.96 -36.89 82.76 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 122.112 -0.367 . . . . 0.0 111.034 179.051 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -80.08 18.14 0.89 Allowed 'General case' 0 C--O 1.232 0.132 0 C-N-CA 124.336 1.054 . . . . 0.0 112.977 171.039 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 78.0 mtm180 69.54 -63.46 0.38 Allowed 'General case' 0 C--N 1.34 0.193 0 C-N-CA 127.499 2.32 . . . . 0.0 110.788 172.171 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -163.08 69.59 0.23 Allowed 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 125.71 1.604 . . . . 0.0 107.097 175.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 7.3 mptt 50.62 36.08 13.08 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.433 1.093 . . . . 0.0 111.917 -176.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -148.71 57.06 1.04 Allowed 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 118.859 0.754 . . . . 0.0 111.488 -170.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -158.19 -178.07 7.02 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 106.597 -1.631 . . . . 0.0 106.597 169.54 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -123.47 146.21 48.23 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 103.444 -2.799 . . . . 0.0 103.444 168.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 72.4 t -95.59 113.87 30.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 -175.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -86.54 158.42 19.53 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 120.2 1.364 . . . . 0.0 107.53 -175.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -41.42 -48.02 3.72 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.761 1.022 . . . . 0.0 113.761 -176.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -66.59 -33.45 75.7 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.035 -1.04 . . . . 0.0 111.237 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -68.39 -41.27 80.74 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 120.874 -1.141 . . . . 0.0 110.273 174.04 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -57.8 -45.34 86.23 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 124.018 0.927 . . . . 0.0 109.944 174.319 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 5.7 mm -60.44 -50.26 81.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 123.0 0.52 . . . . 0.0 110.274 175.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 28.6 m -56.78 -40.73 76.4 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.766 -0.584 . . . . 0.0 110.046 176.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -59.64 -42.99 94.02 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 124.809 1.244 . . . . 0.0 110.772 174.247 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.9 tt -56.15 -51.9 66.28 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 174.343 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.16 -50.68 33.18 Favored Glycine 0 C--N 1.336 0.551 0 C-N-CA 123.411 0.529 . . . . 0.0 112.904 175.119 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.66 -53.39 55.28 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.48 0.712 . . . . 0.0 109.548 -177.246 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 56.7 tp -53.35 -51.78 61.33 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 124.964 1.306 . . . . 0.0 110.263 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.74 -49.5 75.04 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.083 0.553 . . . . 0.0 110.762 176.189 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 49.8 ttp -59.69 -35.05 73.71 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 122.976 0.511 . . . . 0.0 112.03 177.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.4 mp -72.09 -43.91 66.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 C-N-CA 124.76 1.224 . . . . 0.0 110.251 178.004 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -53.52 -45.85 69.92 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 169.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 68.83 -71.37 0.12 Allowed 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.834 1.654 . . . . 0.0 113.124 168.075 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -54.67 -36.84 65.03 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.733 0.813 . . . . 0.0 110.575 -176.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.85 -46.21 51.13 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.547 1.139 . . . . 0.0 111.517 173.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 2.7 tm? . . . . . 0 N--CA 1.456 -0.159 0 C-N-CA 123.671 0.788 . . . . 0.0 109.162 -176.448 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.8 p . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -51.07 -44.09 44.4 Favored 'Trans proline' 0 N--CA 1.456 -0.715 0 C-N-CA 122.695 2.264 . . . . 0.0 111.334 169.305 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 89.0 mt -59.32 -53.91 52.79 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.688 0.795 . . . . 0.0 110.393 177.138 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -56.03 -43.5 77.88 Favored 'General case' 0 C--O 1.225 -0.199 0 CA-C-N 118.349 0.522 . . . . 0.0 111.287 177.444 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.2 tm0? -55.76 -43.15 76.44 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 122.754 0.422 . . . . 0.0 110.816 172.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.14 -43.89 81.2 Favored 'General case' 0 CA--C 1.528 0.121 0 O-C-N 121.831 -0.543 . . . . 0.0 109.895 -177.12 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.0 mt -56.72 -46.81 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 172.026 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.14 -51.2 31.38 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 124.158 0.885 . . . . 0.0 111.46 174.14 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.3 tt -57.31 -56.07 26.6 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.414 0.686 . . . . 0.0 110.171 177.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.8 mt -53.87 -50.18 66.86 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 123.658 0.783 . . . . 0.0 111.194 -178.493 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.1 mm -53.65 -54.2 20.71 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.398 0 C-N-CA 124.397 1.079 . . . . 0.0 108.767 173.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.12 -57.28 9.09 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 123.872 0.749 . . . . 0.0 111.533 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.5 mm -57.11 -47.97 82.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-N 116.975 0.387 . . . . 0.0 110.458 -178.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -54.68 -50.33 68.49 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 122.404 1.097 . . . . 0.0 110.733 176.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -69.02 -16.44 63.71 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 124.848 1.259 . . . . 0.0 111.925 -170.115 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -48.13 -48.41 34.11 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 119.292 0.951 . . . . 0.0 109.283 169.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -78.61 -56.85 4.1 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.464 -175.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.6 m -57.14 -25.41 58.84 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -178.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.77 -46.96 93.16 Favored Glycine 0 CA--C 1.525 0.699 0 O-C-N 121.579 -0.701 . . . . 0.0 111.514 173.202 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -71.42 -50.7 29.25 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 175.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -83.45 64.09 7.67 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.07 53.3 3.01 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 123.609 0.623 . . . . 0.0 113.257 -172.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -89.57 -43.5 10.74 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 117.82 0.81 . . . . 0.0 109.679 171.217 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -168.74 160.89 10.87 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 105.895 -1.891 . . . . 0.0 105.895 -173.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 66.5 t-80 -71.36 69.12 0.55 Allowed 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 170.103 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.6 t -138.53 165.01 27.94 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 126.412 1.885 . . . . 0.0 106.898 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 75.5 mt -101.61 171.45 7.55 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 125.126 1.37 . . . . 0.0 107.398 167.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.7 p -146.33 169.95 17.79 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 105.607 -1.997 . . . . 0.0 105.607 169.195 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -52.63 -39.79 62.1 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.557 0.743 . . . . 0.0 112.134 -174.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -57.23 -52.29 65.9 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 121.187 0.518 . . . . 0.0 109.92 175.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -62.58 -41.03 98.69 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 122.999 0.52 . . . . 0.0 110.046 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -54.75 -52.33 62.89 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.27 1.028 . . . . 0.0 109.074 174.282 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 55.1 tttm -55.76 -48.01 76.0 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.748 0.819 . . . . 0.0 110.702 177.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -58.03 -48.75 79.14 Favored 'General case' 0 CA--C 1.53 0.175 0 O-C-N 121.325 -0.859 . . . . 0.0 110.773 176.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.7 tp -55.54 -54.52 43.01 Favored 'General case' 0 N--CA 1.452 -0.33 0 O-C-N 122.022 -0.424 . . . . 0.0 111.119 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 31.2 pt -60.43 -40.47 84.26 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 C-N-CA 119.673 -0.811 . . . . 0.0 110.744 -179.314 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -56.34 -44.32 79.91 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 118.593 0.633 . . . . 0.0 110.71 173.205 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.3 mmtm -63.5 -51.63 64.73 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 119.305 0.957 . . . . 0.0 111.95 177.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 . . . . . 0 CA--C 1.539 0.545 0 CA-C-N 118.905 0.775 . . . . 0.0 110.231 175.687 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 . . . . . 0 N--CA 1.449 -0.518 0 CA-C-O 118.879 -0.582 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.76 -42.31 93.94 Favored 'Isoleucine or valine' 0 C--N 1.343 0.292 0 C-N-CA 118.668 -1.213 . . . . 0.0 111.145 -175.043 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.1 p -59.11 -40.46 80.96 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 CA-C-N 118.926 0.784 . . . . 0.0 110.759 176.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -62.4 -48.82 78.02 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.067 -0.396 . . . . 0.0 110.259 177.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.31 -46.94 88.2 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 122.129 -0.357 . . . . 0.0 110.496 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 45.9 mtt -52.58 -56.07 17.86 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 122.843 0.457 . . . . 0.0 110.016 173.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -52.56 -52.68 53.84 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 122.801 0.44 . . . . 0.0 110.905 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -51.67 -48.15 63.53 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.255 1.022 . . . . 0.0 111.557 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 77.6 mt -72.22 -39.18 68.71 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 117.687 0.222 . . . . 0.0 111.558 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -66.75 -50.88 61.33 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 124.767 1.227 . . . . 0.0 110.71 -174.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 64.89 -68.4 0.11 Allowed 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 126.328 1.851 . . . . 0.0 111.997 178.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -156.63 5.63 0.17 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.957 1.303 . . . . 0.0 112.123 -178.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -66.28 -38.13 87.08 Favored 'General case' 0 C--N 1.342 0.263 0 CA-C-N 119.36 0.982 . . . . 0.0 109.902 -178.358 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 24.7 -64.62 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.363 1 C-N-CA 132.467 4.307 . . . . 0.0 116.026 167.701 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.426 ' H ' ' CD ' ' A' ' 66' ' ' GLN . 2.0 mp0 -39.04 -47.32 1.49 Allowed 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 125.816 1.647 . . . . 0.0 110.463 170.514 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -128.28 135.51 49.73 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 125.402 1.481 . . . . 0.0 107.173 170.033 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 59.4 t -120.82 121.8 66.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 103.75 -2.685 . . . . 0.0 103.75 168.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -92.22 151.89 20.12 Favored 'General case' 0 N--CA 1.457 -0.093 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -166.43 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -50.61 -41.77 55.18 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.286 0.634 . . . . 0.0 111.076 173.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.1 tp60 -56.96 -38.16 72.58 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.377 -0.827 . . . . 0.0 111.655 175.175 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -64.14 -42.14 96.91 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 177.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -58.8 -45.87 88.89 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 122.161 -0.337 . . . . 0.0 111.286 176.1 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.83 -47.25 89.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 119.33 -0.948 . . . . 0.0 110.911 179.039 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.8 p -62.16 -37.49 85.44 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 121.762 -0.586 . . . . 0.0 110.58 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -55.23 -53.6 53.96 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.563 1.145 . . . . 0.0 110.607 169.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.5 tp -51.37 -48.08 62.62 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.047 0.539 . . . . 0.0 109.932 175.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.83 -57.11 11.42 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.372 -0.691 . . . . 0.0 111.372 173.213 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.22 -47.43 72.16 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.175 0.99 . . . . 0.0 110.943 -178.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.4 mp -54.16 -56.77 15.0 Favored 'General case' 0 C--O 1.228 -0.068 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 175.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.01 -40.64 77.03 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 111.503 0.186 . . . . 0.0 111.503 -178.054 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 47.8 mtt -61.04 -49.44 77.37 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.233 0.613 . . . . 0.0 110.726 175.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 17.7 mm -54.14 -45.55 66.3 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 O-C-N 121.321 -0.862 . . . . 0.0 109.148 174.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -77.84 25.05 0.21 Allowed 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 175.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -51.61 -35.92 43.6 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 119.874 1.215 . . . . 0.0 110.903 171.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -46.07 -48.34 17.02 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.133 0.973 . . . . 0.0 111.854 170.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -78.36 -37.07 45.14 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.656 0.782 . . . . 0.0 110.236 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 53.1 tp . . . . . 0 C--O 1.227 -0.129 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 175.165 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.535 0.367 0 CA-C-O 117.905 -1.045 . . . . 0.0 109.599 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_exo -43.98 -53.4 4.66 Favored 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 123.52 2.814 . . . . 0.0 113.828 -175.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 48.0 mt -63.26 -40.53 97.66 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.923 -0.485 . . . . 0.0 111.082 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -62.35 -43.05 99.73 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 118.378 0.535 . . . . 0.0 110.423 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.2 -40.68 90.91 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 122.921 0.488 . . . . 0.0 110.369 173.14 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.06 -49.27 75.2 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.5 mp -51.05 -51.98 19.53 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.33 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 170.297 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.75 -54.28 11.7 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 124.141 0.877 . . . . 0.0 111.666 178.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 62.6 tp -60.23 -57.0 14.7 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 122.253 -0.557 . . . . 0.0 110.477 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 8.0 tt -58.44 -50.66 72.91 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 122.971 0.508 . . . . 0.0 111.234 -173.428 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 4.6 tt -64.38 -39.38 85.35 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 C-N-CA 123.799 0.84 . . . . 0.0 109.327 178.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.91 -45.06 92.27 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 123.843 0.735 . . . . 0.0 111.776 174.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 92.6 mt -62.83 -58.11 9.03 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 175.144 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -58.33 -34.61 70.81 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 122.428 0.291 . . . . 0.0 111.544 -173.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -48.21 -48.51 34.89 Favored 'General case' 0 N--CA 1.457 -0.086 0 C-N-CA 125.479 1.511 . . . . 0.0 111.688 176.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -43.36 -56.78 3.36 Favored 'General case' 0 C--N 1.337 0.06 0 C-N-CA 124.11 0.964 . . . . 0.0 111.529 -168.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -84.63 -80.65 0.2 Allowed 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.078 173.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -52.47 -32.22 38.69 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 126.967 2.107 . . . . 0.0 115.019 -168.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.41 -63.47 1.57 Allowed Glycine 0 C--N 1.334 0.433 0 N-CA-C 110.149 -1.181 . . . . 0.0 110.149 -176.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -56.63 -42.52 78.98 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.383 0.673 . . . . 0.0 110.938 -177.367 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -74.85 -12.43 60.38 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 178.328 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.89 -71.91 0.9 Allowed Glycine 0 CA--C 1.526 0.721 0 C-N-CA 124.465 1.031 . . . . 0.0 111.296 177.509 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.6 p30 41.62 -108.08 0.09 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.379 1.872 . . . . 0.0 111.003 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -138.39 37.95 2.27 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 169.008 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 44.92 61.87 2.33 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 122.895 1.331 . . . . 0.0 111.695 -170.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 3.2 t -144.71 156.69 44.21 Favored 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 127.33 2.252 . . . . 0.0 105.82 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 5.3 mp -92.7 107.35 19.15 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 103.998 -2.593 . . . . 0.0 103.998 166.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 67.0 p -89.98 162.17 15.52 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 -179.14 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -42.78 -46.17 5.09 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -173.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -62.49 -62.12 1.97 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 122.993 0.517 . . . . 0.0 110.426 -178.209 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -65.38 -29.36 70.06 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 121.56 -0.712 . . . . 0.0 111.091 -175.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 9.3 tt -62.41 -48.02 81.55 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.413 0.685 . . . . 0.0 109.532 170.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -55.58 -46.3 77.27 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.95 -0.468 . . . . 0.0 110.107 175.174 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -54.78 -52.46 62.55 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.619 -0.675 . . . . 0.0 110.154 174.004 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.2 tt -50.56 -61.42 2.2 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 118.859 -0.591 . . . . 0.0 110.22 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 26.4 pt -58.65 -41.22 81.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-N 118.669 0.668 . . . . 0.0 110.749 -174.147 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -55.93 -54.52 43.76 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.581 0.628 . . . . 0.0 111.22 175.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? . . . . . 0 CA--C 1.534 0.364 0 CA-C-N 118.652 0.66 . . . . 0.0 110.585 -179.819 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 22.7 tp . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 58.5 mtt -62.84 -41.61 99.42 Favored 'General case' 0 N--CA 1.453 -0.283 0 O-C-N 122.147 -0.346 . . . . 0.0 110.889 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -59.16 -50.37 74.28 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 118.663 0.665 . . . . 0.0 110.526 174.213 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -53.07 -45.84 68.31 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.886 0.874 . . . . 0.0 111.295 176.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.0 tt -59.48 -58.38 8.87 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 174.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -56.61 -43.87 80.59 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 125.493 1.517 . . . . 0.0 111.847 -171.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 72.42 -58.5 0.59 Allowed 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 125.959 1.704 . . . . 0.0 111.178 -177.774 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -78.14 20.46 0.38 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.878 0.871 . . . . 0.0 112.517 -177.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 93.2 mttt 67.68 -59.98 0.4 Allowed 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 126.436 1.894 . . . . 0.0 112.938 -173.294 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -121.53 136.22 54.97 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 126.385 1.874 . . . . 0.0 107.856 170.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -164.43 174.65 10.76 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 126.787 2.035 . . . . 0.0 105.765 -176.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -92.06 94.09 9.07 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 177.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 78.1 t -89.83 103.06 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 N-CA-C 105.277 -2.12 . . . . 0.0 105.277 -171.032 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -92.85 149.31 21.35 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 123.523 0.729 . . . . 0.0 110.156 -168.405 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -54.54 -38.69 66.88 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -173.006 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -45.14 84.18 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.491 -0.756 . . . . 0.0 109.815 175.357 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -66.12 -43.24 87.76 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 121.842 -0.536 . . . . 0.0 109.6 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -50.86 -52.47 41.35 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.078 0.551 . . . . 0.0 110.254 174.014 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 17.1 mm -61.0 -50.62 79.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 123.248 0.619 . . . . 0.0 111.522 178.317 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 27.1 m -56.6 -45.44 81.41 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 121.426 0.631 . . . . 0.0 109.429 -179.17 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -61.57 -41.39 97.33 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.43 1.092 . . . . 0.0 110.951 176.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 3.6 tt -54.12 -53.2 56.52 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 174.298 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.56 -54.17 31.67 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 177.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.53 -49.49 74.63 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 117.712 0.756 . . . . 0.0 111.383 -179.28 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 58.9 tp -58.26 -48.33 80.79 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.272 1.029 . . . . 0.0 109.942 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.84 -38.73 91.92 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.703 0.401 . . . . 0.0 111.336 178.129 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 16.7 tmm? -59.52 -48.26 82.34 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 121.747 -0.595 . . . . 0.0 109.573 173.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 88.3 mt -56.21 -42.7 74.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-N 118.664 0.665 . . . . 0.0 110.018 173.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -58.67 -7.28 0.92 Allowed 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.067 0.765 . . . . 0.0 113.067 175.089 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -50.4 -35.69 29.43 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 120.64 1.564 . . . . 0.0 110.122 167.355 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -57.76 -40.11 78.98 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 122.212 -0.305 . . . . 0.0 111.72 172.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.41 -43.94 68.97 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.038 0.535 . . . . 0.0 110.55 177.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 7.1 mp . . . . . 0 CA--C 1.536 0.415 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 174.092 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.1 m . . . . . 0 CA--C 1.535 0.374 0 CA-C-O 118.271 -0.871 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -38.05 -53.32 1.63 Allowed 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 124.593 3.529 . . . . 0.0 115.439 -170.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -57.24 -50.49 72.71 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 117.992 0.36 . . . . 0.0 111.475 -179.348 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -68.28 -33.2 73.91 Favored 'General case' 0 CA--C 1.517 -0.308 0 O-C-N 121.911 -0.493 . . . . 0.0 110.357 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -65.29 -40.52 93.95 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 117.817 0.28 . . . . 0.0 110.76 177.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.21 -49.19 17.81 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 124.167 0.987 . . . . 0.0 109.931 -176.109 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.1 mt -52.18 -48.18 43.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 169.565 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.07 -49.81 54.09 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 124.647 1.118 . . . . 0.0 111.176 176.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 64.7 tp -55.43 -54.08 48.2 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 117.765 0.782 . . . . 0.0 110.48 175.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 tp -52.67 -55.89 19.34 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 121.613 0.721 . . . . 0.0 110.596 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 67.2 mt -53.55 -47.1 60.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 C-N-CA 123.719 0.808 . . . . 0.0 109.353 178.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.56 -56.66 23.43 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 124.237 0.922 . . . . 0.0 111.593 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.4 pt -62.18 -35.49 69.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 O-C-N 121.805 -0.821 . . . . 0.0 111.012 -177.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -62.04 -55.42 29.32 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.304 0.502 . . . . 0.0 109.872 172.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -52.95 -32.26 44.99 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 125.969 1.707 . . . . 0.0 111.675 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -50.77 -46.92 59.69 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.485 0.584 . . . . 0.0 110.484 175.558 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -80.25 -53.71 6.4 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 123.715 0.806 . . . . 0.0 109.595 175.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.2 m -74.96 61.85 1.08 Allowed 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 124.655 1.182 . . . . 0.0 110.015 175.721 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -170.45 -58.58 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 107.792 -2.123 . . . . 0.0 107.792 -178.368 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.4 pttt -68.45 -36.07 78.48 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 117.01 0.405 . . . . 0.0 111.099 174.482 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -127.32 -60.22 1.2 Allowed 'General case' 0 C--N 1.341 0.215 0 C-N-CA 123.277 0.631 . . . . 0.0 111.189 -177.208 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.45 147.26 40.31 Favored Glycine 0 CA--C 1.531 1.072 0 N-CA-C 110.07 -1.212 . . . . 0.0 110.07 -175.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -78.46 38.31 0.3 Allowed 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.34 -1.094 . . . . 0.0 113.601 -169.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp 68.15 -49.17 0.54 Allowed 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 126.086 1.755 . . . . 0.0 112.074 -169.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 58.7 m80 -79.75 -18.26 51.54 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 125.499 1.52 . . . . 0.0 112.496 -173.088 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.4 p -141.13 168.6 19.4 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 119.18 0.9 . . . . 0.0 109.225 178.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.3 tt -131.46 118.76 20.64 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 127.032 2.133 . . . . 0.0 106.486 175.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.8 m -93.74 158.96 15.42 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.354 0.661 . . . . 0.0 111.963 -171.461 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -44.79 -47.31 10.9 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.402 1.081 . . . . 0.0 112.895 -170.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -51.61 -44.41 62.85 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.197 0.599 . . . . 0.0 111.278 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -64.12 -38.87 92.61 Favored 'General case' 0 N--CA 1.453 -0.3 0 O-C-N 122.028 -0.42 . . . . 0.0 110.71 177.327 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.5 tp -64.42 -46.54 82.79 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 179.28 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -55.92 -52.93 62.37 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.154 0.582 . . . . 0.0 109.861 173.43 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 67.5 tt0 -51.72 -46.05 63.81 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.009 0.524 . . . . 0.0 110.492 176.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.5 tp -56.99 -59.13 5.51 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 118.833 -0.603 . . . . 0.0 110.288 178.074 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 46.5 pt -58.85 -36.09 59.5 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 119.16 0.891 . . . . 0.0 111.606 -176.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -61.61 -63.01 1.41 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.062 0.545 . . . . 0.0 110.666 174.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -58.48 -41.63 85.72 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.187 0.595 . . . . 0.0 111.375 -177.141 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 . . . . . 0 CA--C 1.541 0.632 0 C-N-CA 124.123 0.969 . . . . 0.0 111.371 176.193 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 . . . . . 0 N--CA 1.45 -0.425 0 CA-C-O 117.766 -1.111 . . . . 0.0 111.499 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 81.6 mt -55.88 -52.55 47.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-N 120.803 1.638 . . . . 0.0 109.571 176.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 76.6 t -59.69 -47.28 91.75 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 O-C-N 122.28 -0.262 . . . . 0.0 110.553 179.413 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -55.53 -47.91 75.52 Favored 'General case' 0 N--CA 1.455 -0.175 0 O-C-N 122.26 -0.275 . . . . 0.0 110.511 179.182 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 56.6 mt -61.25 -45.17 95.61 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 122.976 0.51 . . . . 0.0 110.313 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 41.5 ttp -56.79 -50.05 73.48 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.147 0.431 . . . . 0.0 110.683 176.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -57.71 -50.79 72.04 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.156 0.582 . . . . 0.0 110.6 178.224 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -55.31 -45.24 76.32 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.799 1.24 . . . . 0.0 110.671 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.4 tt -57.78 -58.22 9.33 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 173.211 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -78.94 58.8 2.47 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -176.078 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 73.7 mtt85 -68.66 -30.95 69.75 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.317 -0.864 . . . . 0.0 108.842 166.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -52.03 -55.28 21.58 Favored 'General case' 0 C--N 1.34 0.162 0 C-N-CA 124.342 1.057 . . . . 0.0 112.332 -175.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 46.0 mttm -100.46 -55.25 2.65 Favored 'General case' 0 C--O 1.232 0.133 0 C-N-CA 122.773 0.429 . . . . 0.0 109.994 -177.007 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.8 t70 65.15 -64.05 0.18 Allowed 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 128.053 2.541 . . . . 0.0 112.625 175.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -47.36 -37.24 10.82 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 126.761 2.024 . . . . 0.0 111.514 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -142.93 142.33 31.67 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 169.229 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 57.0 t -93.57 135.71 27.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 N-CA-C 105.566 -2.013 . . . . 0.0 105.566 175.267 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -90.99 141.24 29.06 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 -179.303 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -43.8 -45.94 7.54 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.25 1.02 . . . . 0.0 112.277 178.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -58.61 -39.33 80.13 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.349 -0.845 . . . . 0.0 111.279 177.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -68.05 -42.48 80.47 Favored 'General case' 0 C--O 1.224 -0.283 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 176.13 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -55.37 -50.99 68.25 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 118.335 0.516 . . . . 0.0 110.033 175.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 24.7 mm -61.04 -52.79 57.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 O-C-N 121.875 -0.516 . . . . 0.0 111.402 177.531 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.9 m -62.87 -33.62 75.66 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.051 -1.03 . . . . 0.0 110.524 -177.144 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -60.99 -45.86 93.12 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.785 0.834 . . . . 0.0 110.555 171.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.7 tt -51.43 -50.64 59.33 Favored 'General case' 0 C--N 1.342 0.256 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 173.359 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -46.05 -65.69 1.95 Allowed Glycine 0 CA--C 1.53 1.027 0 C-N-CA 123.695 0.664 . . . . 0.0 112.375 172.495 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.07 -46.25 71.96 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.545 1.138 . . . . 0.0 112.017 -175.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.9 tp -58.97 -55.82 30.25 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 177.497 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.63 -37.77 71.19 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 122.904 0.481 . . . . 0.0 112.024 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 80.3 mtp -56.87 -15.25 4.44 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 178.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 31.1 mm -58.16 -31.7 42.56 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 CA-C-N 119.535 1.061 . . . . 0.0 110.219 169.312 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 51.05 51.99 15.91 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 125.624 1.569 . . . . 0.0 112.03 175.491 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -41.86 107.67 0.08 Allowed 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.579 1.552 . . . . 0.0 111.485 175.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 56.3 tt0 58.87 40.67 22.45 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.644 0.778 . . . . 0.0 110.553 177.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 51.01 54.04 11.97 Favored 'General case' 0 C--N 1.339 0.151 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -171.21 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 78.8 mt . . . . . 0 CA--C 1.531 0.232 0 C-N-CA 124.831 1.252 . . . . 0.0 110.848 -172.078 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 27.6 m . . . . . 0 CA--C 1.532 0.251 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_exo -46.37 -53.69 5.67 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 123.563 2.842 . . . . 0.0 113.601 -176.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.8 -45.21 82.35 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 122.142 -0.349 . . . . 0.0 111.446 178.567 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -62.88 -46.99 85.25 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.205 0.602 . . . . 0.0 110.716 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -57.14 -45.1 83.84 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 174.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.81 -54.36 19.68 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 122.216 -0.303 . . . . 0.0 110.708 -172.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 11.9 tt -58.55 -45.82 90.17 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 177.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.51 -53.89 22.99 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 175.222 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -56.59 -62.95 1.38 Allowed 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 117.218 0.509 . . . . 0.0 110.751 178.12 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 pp -62.15 -39.44 92.62 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 119.531 1.059 . . . . 0.0 112.043 -170.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 25.7 mt -65.42 -43.86 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-O 118.986 -0.531 . . . . 0.0 109.652 175.217 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.99 -53.69 40.55 Favored Glycine 0 CA--C 1.53 1.0 0 CA-C-N 119.279 0.945 . . . . 0.0 111.174 176.525 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 28.6 mm -54.38 -38.33 40.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 124.192 0.997 . . . . 0.0 110.825 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -66.05 -63.31 1.11 Allowed 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.666 0.745 . . . . 0.0 111.587 171.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -63.52 -22.01 66.65 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 124.869 1.268 . . . . 0.0 112.512 -169.082 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -60.8 -36.98 80.42 Favored 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 119.804 -0.758 . . . . 0.0 109.662 176.292 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -81.74 -67.63 0.76 Allowed 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 168.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 49.2 m -77.55 58.84 1.82 Allowed 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.821 2.048 . . . . 0.0 111.838 -168.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -177.94 -65.26 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.451 0 N-CA-C 108.207 -1.957 . . . . 0.0 108.207 -172.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -64.84 -38.06 89.71 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 176.609 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -74.39 67.13 1.41 Allowed 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 118.143 0.429 . . . . 0.0 110.062 174.029 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.75 48.66 74.82 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 124.715 1.15 . . . . 0.0 113.306 170.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 21.4 t70 71.76 -55.22 0.67 Allowed 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 126.56 1.944 . . . . 0.0 113.172 175.223 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -3.99 91.43 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 128.15 2.58 . . . . 0.0 113.899 177.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -76.43 50.23 0.64 Allowed 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 121.664 0.745 . . . . 0.0 110.233 174.598 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 5.3 t -147.78 145.72 28.9 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 126.27 1.828 . . . . 0.0 107.888 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 59.0 mt -93.24 97.3 10.54 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 105.328 -2.101 . . . . 0.0 105.328 168.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.3 m -92.62 171.82 8.76 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 176.648 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -43.71 -42.45 5.39 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.22 1.008 . . . . 0.0 111.702 178.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -53.91 -59.8 4.16 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.816 0.846 . . . . 0.0 111.439 173.491 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 30.1 mp0 -58.48 -42.81 88.39 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.695 -0.628 . . . . 0.0 109.816 -178.254 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 76.7 mt -58.19 -43.42 87.56 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 119.489 -0.291 . . . . 0.0 110.774 175.39 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -53.86 -55.01 30.65 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 174.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -56.2 -44.74 79.75 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 117.868 0.304 . . . . 0.0 111.785 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 41.0 tp -56.18 -63.89 1.04 Allowed 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 119.487 -0.292 . . . . 0.0 110.494 175.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 2.3 pp -62.31 -37.92 79.84 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-N 118.572 0.624 . . . . 0.0 110.965 -172.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -50.46 -49.98 53.64 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 124.272 1.029 . . . . 0.0 109.995 170.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp . . . . . 0 N--CA 1.453 -0.294 0 CA-C-N 117.871 0.305 . . . . 0.0 111.814 -179.838 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 46.5 mt . . . . . 0 N--CA 1.456 -0.144 0 N-CA-C 110.453 -0.202 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 34.9 ttp -57.9 -46.04 85.53 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 121.154 0.502 . . . . 0.0 110.58 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -56.53 -56.96 14.79 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 123.383 0.673 . . . . 0.0 110.434 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -62.76 -42.3 99.62 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.982 0.81 . . . . 0.0 110.914 -177.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 64.4 tp -51.57 -46.12 63.35 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 123.912 0.885 . . . . 0.0 110.255 177.579 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -72.22 -62.57 1.39 Allowed 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 121.235 0.541 . . . . 0.0 111.186 176.216 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 50.9 tpt85 -53.72 -23.33 11.29 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 126.359 1.864 . . . . 0.0 112.54 -172.046 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -32.18 -45.59 0.11 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.608 1.563 . . . . 0.0 112.266 168.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -144.38 -166.98 2.51 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 168.681 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -74.89 58.93 0.87 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.986 1.315 . . . . 0.0 110.308 174.279 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -94.99 178.08 5.68 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-O 122.821 1.296 . . . . 0.0 110.277 -174.339 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -140.0 143.34 36.41 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 103.798 -2.668 . . . . 0.0 103.798 168.102 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 46.7 t -93.02 117.61 36.82 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.084 0 N-CA-C 106.408 -1.701 . . . . 0.0 106.408 -178.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -87.79 157.31 19.06 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.045 -1.034 . . . . 0.0 108.283 -170.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -40.4 -51.58 2.82 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 176.249 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -65.37 -28.37 69.23 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 120.927 -1.108 . . . . 0.0 111.987 179.026 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -69.68 -38.78 77.17 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 118.83 0.741 . . . . 0.0 110.2 171.38 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -59.03 -48.79 80.31 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.323 0.965 . . . . 0.0 109.439 174.059 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 1.4 mp -60.87 -54.04 40.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 O-C-N 121.84 -0.538 . . . . 0.0 111.619 177.768 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 31.7 p -65.37 -30.0 70.78 Favored 'General case' 0 CA--C 1.533 0.327 0 O-C-N 120.313 -1.492 . . . . 0.0 110.913 -179.006 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -61.61 -39.66 92.02 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.679 0.672 . . . . 0.0 110.222 169.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 3.6 tt -54.39 -50.52 67.35 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 171.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -46.34 -54.94 8.15 Favored Glycine 0 CA--C 1.531 1.073 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.692 170.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.61 -48.99 73.99 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.294 1.038 . . . . 0.0 111.402 -178.286 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 94.1 mt -54.54 -45.61 73.45 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 118.508 0.594 . . . . 0.0 111.553 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.92 -47.59 79.95 Favored 'General case' 0 C--O 1.226 -0.163 0 O-C-N 121.879 -0.513 . . . . 0.0 111.336 171.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.62 -40.42 83.28 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 118.806 0.73 . . . . 0.0 112.158 -177.247 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 12.7 pt -80.57 0.88 3.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-N 118.643 0.656 . . . . 0.0 112.454 174.583 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 70.47 52.09 0.34 Allowed 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 125.093 1.357 . . . . 0.0 113.277 171.572 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -50.67 100.93 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.136 0.974 . . . . 0.0 109.226 168.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 46.42 43.53 12.01 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 125.109 1.364 . . . . 0.0 112.034 -171.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 51.86 47.57 24.52 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.393 0.677 . . . . 0.0 111.16 -178.361 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 10.2 mp . . . . . 0 CA--C 1.533 0.299 0 C-N-CA 124.437 1.095 . . . . 0.0 109.113 -171.352 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 p . . . . . 0 CA--C 1.532 0.279 0 N-CA-C 111.147 0.055 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -56.8 -38.68 95.23 Favored 'Trans proline' 0 N--CA 1.455 -0.765 0 C-N-CA 122.035 1.823 . . . . 0.0 109.733 168.447 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.7 tp -55.65 -57.64 11.15 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 123.856 0.863 . . . . 0.0 110.411 173.102 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -55.59 -44.13 76.68 Favored 'General case' 0 C--O 1.226 -0.142 0 O-C-N 122.011 -0.431 . . . . 0.0 110.967 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.53 -43.12 68.11 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 122.535 0.334 . . . . 0.0 110.914 173.196 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.04 -43.87 86.26 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.308 0.504 . . . . 0.0 110.036 -178.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 83.2 mt -55.83 -53.66 35.22 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 173.374 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.41 -51.93 35.0 Favored Glycine 0 CA--C 1.528 0.88 0 C-N-CA 124.722 1.153 . . . . 0.0 111.359 178.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -53.39 -58.11 8.27 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.789 0.836 . . . . 0.0 109.089 176.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.1 tp -56.05 -55.28 34.75 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.582 0.353 . . . . 0.0 111.455 -176.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 pp -65.17 -34.74 72.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-O 118.94 -0.552 . . . . 0.0 110.558 -176.084 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.56 -53.32 47.0 Favored Glycine 0 CA--C 1.529 0.908 0 N-CA-C 110.62 -0.992 . . . . 0.0 110.62 172.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.4 mp -53.55 -47.86 59.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 O-C-N 122.297 -0.531 . . . . 0.0 109.747 174.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -61.56 -51.97 66.37 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.753 0.706 . . . . 0.0 111.1 -177.506 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -44.1 -51.67 7.8 Favored 'General case' 0 CA--C 1.528 0.096 0 C-N-CA 125.181 1.393 . . . . 0.0 110.075 172.479 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -66.46 -57.98 6.22 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -174.46 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -56.84 -40.28 75.77 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.1 0.96 . . . . 0.0 111.232 -173.246 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 74.5 m -49.78 -23.13 1.67 Allowed 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 114.325 1.231 . . . . 0.0 114.325 173.443 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -26.5 -53.57 0.07 OUTLIER Glycine 0 CA--C 1.535 1.307 0 C-N-CA 126.751 2.119 . . . . 0.0 116.426 -172.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -59.34 -37.97 79.19 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 117.998 0.899 . . . . 0.0 111.855 -177.121 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -81.99 -41.62 20.49 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.245 1.018 . . . . 0.0 109.567 173.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.98 -84.45 0.11 Allowed Glycine 0 CA--C 1.525 0.692 0 C-N-CA 125.23 1.395 . . . . 0.0 112.576 169.513 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -66.41 -67.93 0.41 Allowed 'General case' 0 N--CA 1.457 -0.092 0 C-N-CA 123.484 0.713 . . . . 0.0 110.002 -170.457 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -80.12 65.24 5.2 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 176.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -52.71 93.77 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 126.745 2.018 . . . . 0.0 112.024 -175.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.9 p -138.51 168.29 20.09 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 126.182 1.793 . . . . 0.0 107.078 -178.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 46.5 tp -93.19 83.04 4.57 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 105.873 -1.899 . . . . 0.0 105.873 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.7 t -94.4 171.65 8.68 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 122.007 0.908 . . . . 0.0 110.629 -177.22 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -52.67 -35.76 55.8 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.569 1.147 . . . . 0.0 110.66 178.357 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.3 mtmt -55.16 -53.86 50.65 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.113 0.565 . . . . 0.0 110.958 172.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.7 mp0 -58.74 -48.42 81.23 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 178.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 59.2 mt -56.17 -49.69 73.31 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.481 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -54.97 -52.62 62.51 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.208 0.603 . . . . 0.0 109.993 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -58.87 -39.51 81.59 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.864 177.752 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.1 tp -63.49 -57.59 9.73 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 121.636 -0.665 . . . . 0.0 110.101 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.2 pt -56.46 -46.11 82.11 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 118.156 0.435 . . . . 0.0 110.346 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -50.33 -56.34 11.7 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.978 0.911 . . . . 0.0 110.486 175.297 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -75.4 -38.86 59.67 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -169.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 . . . . . 0 CA--C 1.534 0.363 0 CA-C-N 119.516 1.053 . . . . 0.0 110.148 173.199 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 . . . . . 0 CA--C 1.536 0.414 0 CA-C-O 117.905 -1.045 . . . . 0.0 111.923 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.7 pt -61.13 -46.43 96.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 117.188 -1.805 . . . . 0.0 110.487 -176.419 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 38.2 t -51.69 -53.52 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 C-N-CA 125.528 1.531 . . . . 0.0 109.751 173.457 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -55.09 -48.76 73.12 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 118.742 0.701 . . . . 0.0 110.661 -178.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 62.2 mt -63.1 -52.55 62.19 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 117.828 0.286 . . . . 0.0 110.637 -178.405 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 70.3 mtp -57.31 -46.97 82.68 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.487 0.715 . . . . 0.0 110.179 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -61.2 -49.5 76.92 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.819 1.247 . . . . 0.0 110.793 178.219 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -53.05 -54.37 36.41 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 118.397 0.544 . . . . 0.0 110.326 175.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 73.8 mt -55.65 -47.59 76.41 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 122.244 0.217 . . . . 0.0 110.679 178.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -62.78 -44.26 96.64 Favored 'General case' 0 C--O 1.224 -0.257 0 C-N-CA 123.308 0.643 . . . . 0.0 112.354 -178.383 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -72.55 -30.5 64.49 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 122.649 0.38 . . . . 0.0 110.018 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -64.83 -61.53 2.12 Favored 'General case' 0 N--CA 1.458 -0.069 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 173.226 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -82.66 64.44 7.29 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 175.303 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -57.06 66.59 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 127.292 2.237 . . . . 0.0 115.658 -167.497 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -148.05 -92.45 0.08 Allowed 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 126.574 1.949 . . . . 0.0 107.078 175.482 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -146.78 160.04 42.75 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 127.422 2.289 . . . . 0.0 106.022 173.121 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 96.0 t -93.91 133.16 35.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 172.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -90.28 153.12 20.7 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 -175.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -44.23 -50.3 8.89 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -59.66 -38.16 80.71 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 121.61 -0.681 . . . . 0.0 110.249 -178.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -67.35 -41.04 85.83 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.476 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -59.06 -43.5 91.74 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 176.11 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.3 mp -59.88 -47.35 91.86 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 O-C-N 121.915 -0.49 . . . . 0.0 111.408 174.29 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.3 p -61.75 -37.46 84.33 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 120.603 -1.31 . . . . 0.0 111.115 177.37 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -59.66 -44.0 93.74 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.124 0.42 . . . . 0.0 110.522 171.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 tt -53.06 -51.91 60.23 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 176.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -51.8 -56.57 15.47 Favored Glycine 0 CA--C 1.526 0.755 0 CA-C-O 119.752 -0.471 . . . . 0.0 112.357 173.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.47 -49.94 66.38 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.044 0.937 . . . . 0.0 111.553 -176.494 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.1 tp -64.31 -55.77 19.07 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 121.891 0.853 . . . . 0.0 109.74 177.241 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.92 -33.83 76.17 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 118.872 -0.585 . . . . 0.0 112.239 -169.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 22.4 ptp -64.02 -45.89 86.9 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 119.654 1.116 . . . . 0.0 111.398 -178.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 6.0 tp -64.23 -47.98 87.53 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 176.284 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -50.97 -48.31 61.12 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.688 1.195 . . . . 0.0 110.979 179.042 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.68 63.15 1.11 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.424 1.489 . . . . 0.0 109.252 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 53.44 33.58 16.28 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.419 1.088 . . . . 0.0 112.951 173.295 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 50.84 32.1 6.83 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.56 0.618 . . . . 0.0 112.365 -173.355 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 79.7 mt . . . . . 0 CA--C 1.533 0.309 0 C-N-CA 125.305 1.442 . . . . 0.0 111.832 -170.128 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 33.8 p . . . . . 0 CA--C 1.542 0.667 0 N-CA-C 115.319 1.6 . . . . 0.0 115.319 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -47.84 -42.93 30.43 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.641 2.894 . . . . 0.0 112.819 175.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 86.3 mt -52.31 -50.57 61.95 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 122.789 0.436 . . . . 0.0 110.213 173.513 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -65.29 -36.88 85.42 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 118.914 -0.565 . . . . 0.0 111.257 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -55.63 -45.72 77.53 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.745 0.702 . . . . 0.0 109.723 171.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.97 -51.14 70.95 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 122.214 -0.304 . . . . 0.0 110.825 178.314 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 39.8 mm -50.87 -54.03 11.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 175.208 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.72 -55.39 11.29 Favored Glycine 0 CA--C 1.523 0.569 0 C-N-CA 126.066 1.794 . . . . 0.0 111.491 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 66.5 mt -53.35 -54.63 33.8 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 117.043 0.422 . . . . 0.0 109.979 176.291 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 44.9 mt -57.88 -52.64 64.65 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 119.444 -0.313 . . . . 0.0 111.758 -175.324 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 21.5 pt -64.8 -43.19 96.44 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.218 0 CA-C-N 118.18 0.445 . . . . 0.0 110.441 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.59 -56.1 26.39 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 110.581 -1.008 . . . . 0.0 110.581 178.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 81.3 mt -55.19 -47.66 77.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 C-N-CA 123.397 0.679 . . . . 0.0 109.584 179.006 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -56.56 -56.82 16.45 Favored 'General case' 0 N--CA 1.457 -0.109 0 CA-C-O 121.111 0.481 . . . . 0.0 110.862 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -58.83 -30.98 68.06 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.821 1.248 . . . . 0.0 111.195 -178.089 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -57.13 -47.13 81.87 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 118.5 0.591 . . . . 0.0 110.445 -178.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -80.48 -56.64 4.04 Favored 'General case' 0 N--CA 1.457 -0.098 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 173.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 15.4 t -55.33 -27.61 48.28 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.591 0.756 . . . . 0.0 112.641 -171.059 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -45.45 -34.25 4.77 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 124.552 1.072 . . . . 0.0 113.347 170.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -59.99 -40.39 89.04 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.441 1.121 . . . . 0.0 111.399 175.083 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -76.91 -31.61 56.82 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.406 0.682 . . . . 0.0 109.427 174.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.69 -85.15 0.2 Allowed Glycine 0 C--N 1.335 0.497 0 C-N-CA 125.359 1.457 . . . . 0.0 111.589 168.752 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -78.29 -48.2 16.21 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.635 1.174 . . . . 0.0 109.654 -179.041 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -80.06 60.05 3.47 Favored 'General case' 0 CA--C 1.528 0.105 0 N-CA-C 107.321 -1.362 . . . . 0.0 107.321 174.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -66.88 75.45 0.11 Allowed 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 126.002 1.721 . . . . 0.0 112.336 -166.641 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 50.2 p -132.59 170.91 14.51 Favored 'General case' 0 N--CA 1.437 -1.077 0 C-N-CA 128.008 2.523 . . . . 0.0 106.642 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 97.0 mt -99.97 173.15 6.8 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 125.182 1.393 . . . . 0.0 107.346 168.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 65.6 p -145.93 162.3 38.08 Favored 'General case' 0 N--CA 1.453 -0.295 0 O-C-N 121.321 -0.862 . . . . 0.0 109.741 177.341 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -53.02 -35.65 59.66 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 169.676 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -58.42 -57.58 12.32 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.454 0.702 . . . . 0.0 109.812 175.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -57.22 -42.11 80.75 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.944 -0.472 . . . . 0.0 111.508 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 8.4 mp -57.61 -46.55 83.95 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.727 -0.608 . . . . 0.0 110.543 173.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -58.59 -41.12 85.04 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.093 -1.004 . . . . 0.0 111.085 173.258 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -54.83 -43.18 72.78 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 119.586 1.084 . . . . 0.0 110.742 173.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 56.2 tp -56.64 -51.74 67.54 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.059 0.845 . . . . 0.0 111.11 172.259 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -59.5 -41.59 85.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 C-N-CA 119.383 -0.927 . . . . 0.0 110.976 -177.226 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -66.91 -33.65 76.06 Favored 'General case' 0 CA--C 1.533 0.289 0 O-C-N 121.962 -0.461 . . . . 0.0 111.662 176.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt . . . . . 0 CA--C 1.532 0.264 0 CA-C-N 118.425 0.557 . . . . 0.0 109.893 173.517 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 54.9 tp . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 11.2 ttt -62.87 -37.91 88.75 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 122.99 0.516 . . . . 0.0 110.978 -176.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -56.72 -63.56 1.16 Allowed 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 122.713 0.405 . . . . 0.0 110.209 173.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -59.48 -50.95 71.93 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.443 0.697 . . . . 0.0 110.17 -174.469 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 52.7 tp -66.86 -46.64 74.4 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.903 0.881 . . . . 0.0 111.179 -174.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -118.19 -69.21 0.86 Allowed 'General case' 0 CA--C 1.521 -0.17 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -169.323 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.41 -22.94 34.91 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -167.166 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -55.29 -37.93 67.97 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 118.365 0.529 . . . . 0.0 111.617 174.285 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -114.29 -45.11 3.06 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 124.014 0.926 . . . . 0.0 111.524 -176.282 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -77.2 75.72 3.76 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 124.358 1.063 . . . . 0.0 109.311 -175.618 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -44.44 -51.19 8.93 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.965 1.306 . . . . 0.0 109.93 173.744 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.432 ' CD ' ' H ' ' B' ' 67' ' ' GLU . 0.8 OUTLIER -105.34 125.15 50.66 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 126.322 1.849 . . . . 0.0 106.062 169.546 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 88.6 t -102.68 117.03 47.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 C-N-CA 125.87 1.668 . . . . 0.0 106.809 -179.353 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -89.68 156.59 18.46 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 121.524 -0.735 . . . . 0.0 109.542 -171.081 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -47.86 -42.8 27.5 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.929 -0.482 . . . . 0.0 112.042 175.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -48.74 -47.79 41.25 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 121.854 -0.529 . . . . 0.0 110.971 172.08 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -66.14 -41.11 90.88 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 118.973 -0.537 . . . . 0.0 110.112 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -55.84 -51.41 67.61 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.851 0.751 . . . . 0.0 110.105 175.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 40.2 mm -58.24 -53.19 49.44 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-O 121.123 0.487 . . . . 0.0 110.84 177.365 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 23.7 m -62.52 -37.06 84.61 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.706 -0.621 . . . . 0.0 110.033 -175.254 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -61.09 -44.21 97.71 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.928 1.291 . . . . 0.0 109.943 173.101 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.11 -50.24 64.84 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 173.288 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -47.11 -59.18 5.84 Favored Glycine 0 CA--C 1.528 0.884 0 C-N-CA 123.882 0.754 . . . . 0.0 111.823 172.102 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.44 -45.62 76.81 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 124.425 1.09 . . . . 0.0 111.922 -176.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.42 -57.89 10.81 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 175.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.86 -39.36 65.6 Favored 'General case' 0 CA--C 1.529 0.151 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -176.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 27.0 ttt -50.53 -18.62 0.7 Allowed 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.658 1.583 . . . . 0.0 113.713 178.069 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -50.15 -38.25 14.76 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 CA-C-N 119.327 0.967 . . . . 0.0 110.377 169.711 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 46.79 66.83 0.89 Allowed 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 125.142 1.377 . . . . 0.0 112.522 174.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -36.73 100.22 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.597 1.559 . . . . 0.0 112.913 178.235 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 57.36 49.91 12.33 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.062 0.945 . . . . 0.0 110.258 -179.427 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 50.61 48.87 21.93 Favored 'General case' 0 C--O 1.226 -0.178 0 C-N-CA 124.046 0.938 . . . . 0.0 109.501 -171.484 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 95.1 mt . . . . . 0 CA--C 1.537 0.445 0 C-N-CA 124.409 1.084 . . . . 0.0 112.087 -170.646 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 CA--C 1.538 0.515 0 CA-C-O 118.56 -0.733 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_endo -77.73 40.44 0.86 Allowed 'Trans proline' 0 CA--C 1.538 0.699 0 C-N-CA 122.627 2.218 . . . . 0.0 113.776 -169.435 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.5 mp -65.64 -60.62 2.73 Favored 'General case' 0 N--CA 1.456 -0.131 0 O-C-N 120.956 -1.09 . . . . 0.0 108.598 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -58.46 -38.77 78.21 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.104 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -56.68 -46.73 80.97 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 173.656 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.02 -51.56 67.52 Favored 'General case' 0 C--O 1.231 0.108 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -179.156 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 48.0 mm -53.13 -54.58 16.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 177.452 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.63 -54.87 30.23 Favored Glycine 0 CA--C 1.525 0.702 0 C-N-CA 124.28 0.943 . . . . 0.0 111.352 -178.52 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.82 -51.84 66.08 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.578 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.7 tp -56.69 -57.24 13.27 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.448 0.699 . . . . 0.0 111.264 -176.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.5 tp -63.71 -41.06 91.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 O-C-N 121.795 -0.566 . . . . 0.0 109.791 -176.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.03 -55.57 29.59 Favored Glycine 0 CA--C 1.528 0.859 0 N-CA-C 111.585 -0.606 . . . . 0.0 111.585 177.241 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.3 tt -67.21 -34.08 67.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 O-C-N 121.504 -0.998 . . . . 0.0 110.583 -176.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -58.46 -53.89 53.2 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 118.708 0.686 . . . . 0.0 110.98 171.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -50.44 -45.16 55.73 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 123.732 0.813 . . . . 0.0 110.114 174.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -66.85 -54.66 20.14 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -175.624 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -61.73 -40.08 93.84 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.016 0.526 . . . . 0.0 110.625 -174.463 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.9 m -63.13 -65.85 0.63 Allowed 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 170.497 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -50.94 -34.45 30.52 Favored Glycine 0 CA--C 1.527 0.797 0 C-N-CA 125.942 1.734 . . . . 0.0 113.723 -171.291 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.3 ttpp -40.1 -38.91 0.8 Allowed 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 125.286 1.434 . . . . 0.0 112.842 172.121 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -152.55 -39.65 0.11 Allowed 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.342 0.519 . . . . 0.0 111.551 -173.544 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.49 84.33 0.44 Allowed Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 109.769 -1.332 . . . . 0.0 109.769 174.124 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -51.42 -37.19 47.23 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.771 0.828 . . . . 0.0 111.653 170.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -57.21 -15.88 6.86 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.139 1.376 . . . . 0.0 112.555 173.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 64.65 42.74 4.59 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.489 1.516 . . . . 0.0 110.928 175.581 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.8 p -138.98 170.78 15.36 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 127.584 2.354 . . . . 0.0 104.826 169.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.7 tt -92.05 94.19 9.12 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 105.801 -1.925 . . . . 0.0 105.801 -177.007 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 85.1 p -91.05 170.69 9.82 Favored 'General case' 0 C--N 1.331 -0.197 0 O-C-N 121.669 -0.644 . . . . 0.0 109.952 -172.218 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -44.0 -37.12 2.79 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.038 0.935 . . . . 0.0 112.618 -177.456 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -62.6 -52.84 61.78 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.913 -0.492 . . . . 0.0 110.832 176.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -61.98 -37.47 84.94 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 121.637 -0.665 . . . . 0.0 110.18 178.179 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.6 tp -61.81 -46.69 88.41 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 122.802 0.441 . . . . 0.0 110.125 175.221 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -56.67 -48.6 77.26 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 122.98 0.512 . . . . 0.0 109.896 175.215 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -55.39 -42.69 74.36 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 122.293 -0.254 . . . . 0.0 110.915 174.353 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 39.5 tp -63.37 -48.32 78.42 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 -178.371 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 76.7 mt -54.75 -51.08 55.31 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 C-N-CA 123.607 0.763 . . . . 0.0 109.257 175.398 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.0 tm0? -53.32 -49.03 67.89 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.359 0.664 . . . . 0.0 109.885 178.171 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -60.86 -53.34 58.46 Favored 'General case' 0 N--CA 1.452 -0.355 0 O-C-N 121.791 -0.568 . . . . 0.0 110.566 -178.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 . . . . . 0 CA--C 1.534 0.348 0 O-C-N 122.163 -0.336 . . . . 0.0 111.223 177.793 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 . . . . . 0 N--CA 1.448 -0.548 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.8 mm -58.91 -45.64 91.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-N 119.789 1.177 . . . . 0.0 110.43 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 68.9 t -57.33 -51.33 70.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 123.866 0.866 . . . . 0.0 109.535 176.241 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -56.56 -44.81 81.34 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 118.341 0.519 . . . . 0.0 111.316 178.508 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 29.5 tp -61.73 -49.21 77.34 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.43 1.092 . . . . 0.0 110.171 -178.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.8 mmt -62.31 -40.5 96.52 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.025 0.53 . . . . 0.0 110.678 177.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -59.67 -47.62 84.89 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 118.291 0.496 . . . . 0.0 110.155 172.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -54.09 -48.59 70.51 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.047 0.539 . . . . 0.0 110.826 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 39.7 mt -56.61 -57.84 10.66 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 120.886 0.374 . . . . 0.0 110.324 171.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -74.63 70.75 1.85 Allowed 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.965 0.906 . . . . 0.0 111.047 -177.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.78 57.6 1.31 Allowed 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 169.63 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 67.02 -38.73 0.34 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 127.38 2.272 . . . . 0.0 113.189 -169.638 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -74.67 49.59 0.4 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.974 0.91 . . . . 0.0 112.137 176.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -47.92 -38.07 15.72 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 122.425 1.107 . . . . 0.0 109.879 169.473 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.427 ' H ' ' CD ' ' A' ' 66' ' ' GLN . 3.7 mp0 -54.42 -49.25 70.39 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 127.141 2.176 . . . . 0.0 110.91 178.774 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -142.42 97.13 3.06 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.918 1.687 . . . . 0.0 111.288 -177.105 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 50.8 t -90.32 109.97 21.43 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 104.796 -2.298 . . . . 0.0 104.796 178.726 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -93.03 169.48 10.39 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.746 -167.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -50.54 -45.55 56.94 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.824 0.675 . . . . 0.0 112.824 -170.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -59.22 -35.87 74.41 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.268 -0.895 . . . . 0.0 111.445 177.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -72.87 -40.13 65.88 Favored 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 121.772 -0.58 . . . . 0.0 109.549 177.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -56.02 -46.55 78.75 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.285 0.564 . . . . 0.0 110.62 172.303 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 13.2 mm -56.54 -51.29 67.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 C-N-CA 123.55 0.74 . . . . 0.0 110.011 174.252 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.7 m -55.15 -42.17 72.76 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.714 -0.616 . . . . 0.0 110.555 177.125 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -58.24 -42.5 86.5 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.314 1.045 . . . . 0.0 111.26 174.193 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.3 tt -53.36 -53.24 53.9 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 173.425 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.16 -53.82 21.8 Favored Glycine 0 CA--C 1.525 0.697 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.656 176.532 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.02 -55.82 28.26 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 117.418 0.609 . . . . 0.0 110.923 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.86 -53.86 35.7 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.377 1.071 . . . . 0.0 109.636 -179.241 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.82 -45.78 89.2 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.321 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 26.5 ttt -62.24 -38.71 90.29 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.768 -0.582 . . . . 0.0 110.813 179.278 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.4 mp -58.57 -41.18 81.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 124.18 0.992 . . . . 0.0 109.553 173.109 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -73.64 55.15 0.5 Allowed 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 118.915 0.78 . . . . 0.0 110.403 169.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -63.65 -35.07 79.33 Favored 'General case' 0 N--CA 1.456 -0.125 0 O-C-N 121.235 -0.915 . . . . 0.0 111.735 -169.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -51.24 -55.91 15.69 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.777 0.831 . . . . 0.0 109.572 170.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.18 -36.59 84.69 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 122.013 -0.429 . . . . 0.0 110.271 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 14.2 tp . . . . . 0 CA--C 1.533 0.318 0 CA-C-O 119.43 -0.319 . . . . 0.0 110.853 176.745 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 19.1 m . . . . . 0 CA--C 1.539 0.534 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -55.18 -36.44 93.2 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 123.031 2.487 . . . . 0.0 111.813 175.375 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 54.3 tp -53.18 -52.13 59.82 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.878 -0.514 . . . . 0.0 110.165 171.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -63.59 -40.49 97.07 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 122.266 -0.271 . . . . 0.0 110.631 -177.657 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -55.42 -45.4 76.76 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 171.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.3 -47.59 85.28 Favored 'General case' 0 C--O 1.236 0.356 0 O-C-N 121.948 -0.47 . . . . 0.0 110.878 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 44.1 mm -50.94 -51.46 20.71 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 171.133 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.25 -54.08 10.59 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 125.347 1.451 . . . . 0.0 112.207 176.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 87.8 mt -58.47 -55.51 34.11 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 117.781 0.791 . . . . 0.0 110.245 179.109 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -59.2 -54.59 45.18 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.197 0.522 . . . . 0.0 110.463 -174.434 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 7.3 tt -61.3 -39.97 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.29 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.14 -47.78 66.0 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 123.924 0.773 . . . . 0.0 111.377 174.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 40.3 mt -59.58 -54.78 29.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 O-C-N 121.874 -0.78 . . . . 0.0 109.195 175.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -60.19 -27.77 67.41 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 121.566 0.698 . . . . 0.0 112.433 -177.313 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 48.0 t60 -56.37 -30.1 62.25 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 123.912 0.885 . . . . 0.0 111.026 177.386 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -54.86 -43.52 73.17 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.647 0.658 . . . . 0.0 110.452 176.342 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -77.61 -49.75 13.94 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 4.1 m -51.81 -37.85 53.39 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.268 0.627 . . . . 0.0 111.883 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.6 -22.61 40.07 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 125.375 1.464 . . . . 0.0 113.275 -179.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -63.65 -22.75 67.07 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.952 1.376 . . . . 0.0 111.293 174.345 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 74.8 -56.68 0.63 Allowed 'General case' 0 C--N 1.34 0.191 0 C-N-CA 126.234 1.814 . . . . 0.0 110.873 174.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.1 -30.62 47.2 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 123.955 0.788 . . . . 0.0 112.204 177.09 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -64.98 -17.36 64.36 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.288 0.635 . . . . 0.0 112.637 176.259 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 25.2 mtmm 72.98 -66.25 0.32 Allowed 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 127.284 2.233 . . . . 0.0 110.334 -175.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -179.06 54.61 0.01 OUTLIER 'General case' 0 C--O 1.234 0.248 0 C-N-CA 126.641 1.976 . . . . 0.0 106.783 -178.19 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 16.9 p -140.92 151.63 44.37 Favored 'General case' 0 N--CA 1.442 -0.826 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 -174.693 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 5.1 tt -94.17 97.98 10.65 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 104.066 -2.568 . . . . 0.0 104.066 168.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.85 166.0 13.31 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.992 0.917 . . . . 0.0 108.905 -170.551 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 6.0 tmtp? -50.39 -41.04 51.4 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 119.237 0.926 . . . . 0.0 112.083 -174.556 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -58.02 -41.36 82.98 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.83 -0.544 . . . . 0.0 111.468 174.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -71.15 -36.4 72.03 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.862 0.865 . . . . 0.0 110.195 178.57 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 tt -58.71 -50.03 75.42 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 172.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.33 -46.44 86.21 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.26 0.624 . . . . 0.0 110.968 175.541 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -53.82 -53.83 46.87 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 122.968 0.507 . . . . 0.0 110.045 176.037 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 66.8 tp -56.96 -49.3 76.13 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.657 0.783 . . . . 0.0 110.461 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 29.0 mt -50.65 -53.54 12.71 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.151 0 C-N-CA 123.268 0.627 . . . . 0.0 109.53 173.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -53.93 -52.2 61.38 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.066 0.546 . . . . 0.0 110.478 -179.043 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt . . . . . 0 N--CA 1.452 -0.363 0 CA-C-N 118.006 0.366 . . . . 0.0 111.928 178.065 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 54.9 tp . . . . . 0 N--CA 1.45 -0.43 0 CA-C-O 119.324 -0.369 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 21.4 ptt? -58.75 -44.42 90.56 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.089 0.404 . . . . 0.0 110.269 -175.494 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -57.92 -57.23 13.72 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 122.743 0.417 . . . . 0.0 110.671 177.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -64.97 -35.39 81.02 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 122.428 0.291 . . . . 0.0 111.466 -175.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.56 -48.5 69.43 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.108 0.963 . . . . 0.0 110.214 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -69.28 79.95 0.36 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 122.614 0.366 . . . . 0.0 111.53 -173.392 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -72.09 66.57 0.62 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.723 0.809 . . . . 0.0 109.125 172.131 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 68.14 -55.27 0.51 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 126.845 2.058 . . . . 0.0 113.646 -177.467 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 55.5 mttm -77.4 63.9 2.66 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.032 0.933 . . . . 0.0 112.073 -169.08 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -46.9 -41.37 15.8 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.338 1.055 . . . . 0.0 112.561 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 9.7 tp60 -49.67 -57.36 7.37 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 123.423 0.689 . . . . 0.0 110.894 179.04 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -150.44 126.98 10.82 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.822 167.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 35.0 m -93.91 138.85 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 N-CA-C 106.167 -1.79 . . . . 0.0 106.167 169.684 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -88.65 159.61 17.77 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 -169.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -43.85 -44.45 6.9 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 178.371 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -58.51 -39.38 79.92 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.321 -0.862 . . . . 0.0 112.141 176.238 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -72.37 -39.91 67.68 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.436 -0.79 . . . . 0.0 110.18 178.421 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -56.22 -46.41 79.51 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 121.289 0.566 . . . . 0.0 110.003 170.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 10.2 mm -59.1 -46.54 91.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 C-N-CA 123.502 0.721 . . . . 0.0 110.014 175.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 28.6 m -58.17 -41.84 84.72 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.061 -1.024 . . . . 0.0 110.723 175.454 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -56.87 -44.45 82.24 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.905 0.882 . . . . 0.0 110.607 172.209 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.91 -50.64 65.93 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 172.731 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -45.72 -59.05 5.08 Favored Glycine 0 CA--C 1.523 0.564 0 C-N-CA 123.987 0.803 . . . . 0.0 111.573 174.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.7 -51.83 67.3 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 117.959 0.879 . . . . 0.0 111.44 178.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 63.4 tp -55.87 -34.76 65.77 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 125.026 1.33 . . . . 0.0 111.504 -177.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.25 -47.74 15.39 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.464 0.705 . . . . 0.0 111.232 174.149 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 48.0 ttm -52.23 -34.62 46.65 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 126.526 1.93 . . . . 0.0 112.464 -173.181 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 20.5 pt -57.73 -29.44 34.96 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 176.249 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -78.91 55.97 1.85 Allowed 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 119.866 1.212 . . . . 0.0 107.922 169.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -56.66 -34.33 67.24 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 -165.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -49.65 -39.11 35.0 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.561 0.745 . . . . 0.0 111.669 174.605 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -77.1 -22.99 51.9 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 122.921 0.488 . . . . 0.0 111.776 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 4.8 tt . . . . . 0 CA--C 1.529 0.146 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 174.962 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 CA--C 1.534 0.335 0 CA-C-O 117.594 -1.193 . . . . 0.0 114.06 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -58.45 -53.98 3.46 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 122.312 2.008 . . . . 0.0 111.246 -175.57 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 83.0 mt -58.09 -50.5 73.24 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -58.79 -55.03 40.38 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.534 0.734 . . . . 0.0 111.8 -176.314 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -63.3 -34.2 77.18 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.085 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.73 -60.32 3.46 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-N 118.308 0.504 . . . . 0.0 110.043 178.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.4 tt -60.42 -44.66 96.64 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -178.01 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.94 -53.75 32.11 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 176.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 51.2 tp -59.71 -51.94 67.61 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 117.195 0.497 . . . . 0.0 110.328 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 73.5 mt -55.17 -55.26 33.21 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 122.443 0.297 . . . . 0.0 111.065 -179.302 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 55.4 mt -55.0 -56.35 11.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 178.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -51.55 -55.73 18.71 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 111.45 -0.66 . . . . 0.0 111.45 -177.093 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 21.2 mm -56.68 -53.12 45.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 O-C-N 122.496 -0.414 . . . . 0.0 109.95 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -64.09 -46.36 84.61 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 117.904 0.32 . . . . 0.0 111.793 -173.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 57.6 t60 -49.95 -51.58 40.23 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 125.321 1.448 . . . . 0.0 109.873 170.509 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -55.32 18.05 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -172.385 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -48.82 -66.98 0.31 Allowed 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 126.553 1.941 . . . . 0.0 110.272 176.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -64.58 -39.46 93.77 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.752 0.311 . . . . 0.0 110.658 -174.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.28 -60.8 7.27 Favored Glycine 0 C--N 1.336 0.54 0 C-N-CA 124.35 0.976 . . . . 0.0 111.301 178.243 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -58.9 -43.95 91.13 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 117.078 0.439 . . . . 0.0 110.978 -179.315 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -67.59 -40.48 84.81 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -175.54 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -177.36 45.64 0.1 OUTLIER Glycine 0 CA--C 1.524 0.643 0 CA-C-O 119.173 -0.793 . . . . 0.0 113.717 178.162 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.7 t70 66.97 -66.35 0.19 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.23 1.812 . . . . 0.0 114.085 170.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -52.51 125.81 17.52 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 125.039 1.336 . . . . 0.0 110.24 -171.255 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -79.45 61.4 3.48 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 121.556 0.694 . . . . 0.0 109.201 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 46.1 p -143.21 142.97 31.57 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 105.501 -2.037 . . . . 0.0 105.501 -174.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.4 tt -88.45 83.12 6.85 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 103.707 -2.701 . . . . 0.0 103.707 -174.533 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.63 174.18 7.32 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 126.694 1.998 . . . . 0.0 108.978 -170.708 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -48.13 -43.67 31.38 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.72 -0.613 . . . . 0.0 112.648 -170.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -56.56 -56.84 16.24 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.08 0.552 . . . . 0.0 110.584 175.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 55.4 mp0 -53.5 -46.04 69.89 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.621 1.168 . . . . 0.0 110.034 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.6 tt -60.26 -51.51 69.26 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 122.975 0.51 . . . . 0.0 109.872 178.156 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.3 ttmm -53.49 -48.47 68.92 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 123.231 0.612 . . . . 0.0 110.343 178.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -59.13 -50.6 73.45 Favored 'General case' 0 N--CA 1.454 -0.247 0 O-C-N 121.782 -0.574 . . . . 0.0 109.697 177.583 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 55.8 tp -52.38 -56.27 16.07 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 122.864 0.465 . . . . 0.0 110.553 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 33.8 pt -60.6 -43.05 93.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.494 -176.478 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -55.34 -51.68 65.96 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 118.987 0.812 . . . . 0.0 111.171 175.194 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -55.85 -47.13 77.82 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.437 0.295 . . . . 0.0 110.936 178.348 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 118.726 -0.654 . . . . 0.0 112.071 177.38 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 . . . . . 0 N--CA 1.448 -0.561 0 CA-C-O 118.74 -0.647 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . 0.256 0.9 OUTLIER -58.97 -37.33 66.81 Favored 'Isoleucine or valine' 0 C--N 1.345 0.41 0 C-N-CA 118.564 -1.255 . . . . 0.0 111.928 -171.263 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 34.2 m -61.26 -39.76 83.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-N 119.024 0.829 . . . . 0.0 110.874 177.123 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? -67.23 -47.84 69.6 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.5 mp -59.81 -48.32 82.16 Favored 'General case' 0 C--O 1.225 -0.199 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 178.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.7 tpt -51.69 -55.23 20.71 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.373 1.069 . . . . 0.0 110.006 174.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -52.96 -52.28 58.6 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.204 0.602 . . . . 0.0 111.002 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -57.03 -55.16 38.34 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 122.649 0.38 . . . . 0.0 111.131 178.388 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 60.0 mt -53.41 -42.17 66.72 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.198 0.599 . . . . 0.0 110.447 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -59.38 -21.78 60.4 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 -179.067 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 58.9 mmt-85 -41.97 -39.29 1.84 Allowed 'General case' 0 C--N 1.344 0.349 0 C-N-CA 125.31 1.444 . . . . 0.0 114.493 -170.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.4 50.15 0.51 Allowed 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.407 1.003 . . . . 0.0 111.78 174.566 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? 37.89 36.85 0.11 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 128.349 2.66 . . . . 0.0 114.628 -177.308 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -175.8 140.53 0.44 Allowed 'General case' 0 CA--C 1.523 -0.095 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.82 38.97 0.27 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.373 1.069 . . . . 0.0 112.138 -178.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -143.13 131.47 22.13 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 106.23 -1.767 . . . . 0.0 106.23 177.096 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.4 t -120.9 139.85 46.88 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 C-N-CA 123.34 0.656 . . . . 0.0 110.053 -170.549 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -92.24 155.97 17.61 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 124.096 0.958 . . . . 0.0 109.798 -175.143 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -38.26 -62.41 0.58 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.392 1.477 . . . . 0.0 113.946 -174.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -60.75 -31.88 71.19 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 121.055 -1.028 . . . . 0.0 110.331 -176.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -77.73 -28.22 50.75 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 121.542 -0.724 . . . . 0.0 110.131 179.005 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -66.04 -46.43 77.86 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 171.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.5 mp -56.78 -49.07 79.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 O-C-N 122.111 -0.368 . . . . 0.0 110.193 171.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 30.1 m -61.18 -37.5 83.16 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 120.862 -1.149 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -58.36 -44.06 88.65 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.072 0.949 . . . . 0.0 110.677 171.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.2 tt -54.2 -51.58 63.96 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 171.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -46.16 -54.98 7.92 Favored Glycine 0 C--O 1.222 -0.632 0 CA-C-O 119.094 -0.837 . . . . 0.0 111.996 175.234 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.06 -56.19 22.57 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 118.153 0.977 . . . . 0.0 110.598 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 96.6 mt -52.21 -52.36 52.71 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 122.773 0.429 . . . . 0.0 110.818 -178.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.72 -48.98 76.88 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 120.624 0.25 . . . . 0.0 111.089 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 16.6 tmm? -56.5 -44.66 80.93 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 124.824 1.25 . . . . 0.0 111.022 -175.371 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 26.6 pt -60.82 -13.22 6.53 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 119.785 -0.766 . . . . 0.0 112.714 178.629 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -91.33 25.65 2.49 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.296 0.953 . . . . 0.0 111.486 170.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -45.14 -35.32 3.1 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.808 1.243 . . . . 0.0 112.198 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.4 mp0 -50.7 -38.62 48.14 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.352 1.061 . . . . 0.0 111.584 177.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.15 -36.18 81.06 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.739 0.416 . . . . 0.0 111.031 176.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 46.3 mt . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 176.563 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 CA--C 1.535 0.367 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_exo -44.75 -45.93 13.06 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 123.893 3.062 . . . . 0.0 114.064 -178.363 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 86.2 mt -58.22 -41.72 84.7 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.976 -0.452 . . . . 0.0 111.336 177.493 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -67.44 -43.94 79.9 Favored 'General case' 0 CA--C 1.521 -0.171 0 O-C-N 121.819 -0.55 . . . . 0.0 109.692 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 14.4 tp60 -56.69 -42.77 79.65 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 174.159 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.76 -52.47 63.08 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 122.897 0.479 . . . . 0.0 109.861 -178.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 61.8 mt -49.06 -58.04 1.43 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 123.808 0.843 . . . . 0.0 109.106 174.134 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.26 -51.63 20.22 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 124.057 0.837 . . . . 0.0 111.489 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 5.6 tt -62.17 -54.72 36.99 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 122.405 -0.468 . . . . 0.0 110.496 -177.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 pp -64.35 -41.39 96.78 Favored 'General case' 0 C--O 1.237 0.412 0 O-C-N 122.02 -0.425 . . . . 0.0 111.961 -173.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 10.8 pt -66.42 -38.18 81.21 Favored 'Isoleucine or valine' 0 C--N 1.342 0.251 0 C-N-CA 120.125 -0.63 . . . . 0.0 109.719 172.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -52.61 -56.14 19.41 Favored Glycine 0 CA--C 1.528 0.869 0 C-N-CA 124.017 0.818 . . . . 0.0 111.807 176.433 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 6.9 tp -62.15 -46.87 95.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 117.961 0.881 . . . . 0.0 110.113 177.403 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -55.23 -43.55 74.66 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.306 0.503 . . . . 0.0 111.204 -178.429 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -55.06 -33.12 62.45 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 125.393 1.477 . . . . 0.0 112.464 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -56.91 -35.06 68.56 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 118.73 0.696 . . . . 0.0 110.322 178.295 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -81.0 -65.51 1.0 Allowed 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 169.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 18.8 m -72.63 71.8 1.0 Allowed 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 124.36 1.064 . . . . 0.0 110.313 178.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -167.63 -43.1 0.03 OUTLIER Glycine 0 CA--C 1.524 0.622 0 N-CA-C 107.243 -2.343 . . . . 0.0 107.243 -174.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -62.56 88.33 0.03 OUTLIER 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 106.731 -1.581 . . . . 0.0 106.731 167.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 73.13 -55.97 0.67 Allowed 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 126.002 1.721 . . . . 0.0 109.263 -168.607 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 61.18 59.48 9.96 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 109.761 -1.336 . . . . 0.0 109.761 178.39 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -44.14 -41.85 5.95 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 125.718 1.607 . . . . 0.0 111.825 -174.375 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -164.51 -158.14 0.4 Allowed 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 104.583 -2.377 . . . . 0.0 104.583 169.265 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 31.7 p-80 -67.38 65.2 0.07 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.472 0.709 . . . . 0.0 110.544 169.256 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 12.5 t -146.03 144.42 30.06 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.037 0.935 . . . . 0.0 110.224 -177.243 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 9.5 tt -97.45 108.14 20.8 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 105.096 -2.187 . . . . 0.0 105.096 169.199 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.8 m -92.4 171.05 9.3 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.47 0.708 . . . . 0.0 111.173 -169.612 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -47.26 -46.45 24.61 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.994 0.918 . . . . 0.0 111.894 179.044 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -50.19 -46.5 54.38 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.632 0.73 . . . . 0.0 110.522 173.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -71.07 -36.1 72.15 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 123.358 0.663 . . . . 0.0 110.997 -177.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 72.9 mt -58.63 -47.48 84.23 Favored 'General case' 0 C--O 1.226 -0.153 0 CA-C-N 118.932 0.787 . . . . 0.0 110.2 170.002 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -57.06 -53.8 53.97 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 118.288 0.495 . . . . 0.0 110.532 177.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -53.21 -50.65 64.27 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 117.791 0.269 . . . . 0.0 110.955 176.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 tt -53.67 -59.1 5.04 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.236 1.014 . . . . 0.0 109.852 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 76.6 mt -52.14 -50.29 36.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-N 118.12 0.418 . . . . 0.0 109.927 179.036 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -55.98 -44.18 78.31 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 122.879 0.472 . . . . 0.0 111.768 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt . . . . . 0 CA--C 1.53 0.183 0 CA-C-N 118.449 0.568 . . . . 0.0 110.473 175.561 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 tt . . . . . 0 CA--C 1.53 0.177 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 61.9 ttp -51.14 -49.98 59.78 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.655 1.182 . . . . 0.0 110.566 177.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -56.74 -50.78 71.22 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 122.925 0.49 . . . . 0.0 110.301 -178.392 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -64.7 -44.77 89.19 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 121.064 0.459 . . . . 0.0 111.395 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 31.6 tp -68.39 -46.52 69.79 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 125.404 1.482 . . . . 0.0 112.342 -173.357 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -79.02 65.07 4.09 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.531 0.733 . . . . 0.0 112.518 -167.463 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.03 -31.58 61.2 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.335 0.654 . . . . 0.0 110.204 169.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -69.38 2.13 3.29 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.482 1.113 . . . . 0.0 113.307 174.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? 76.1 -60.14 0.49 Allowed 'General case' 0 C--N 1.338 0.069 0 C-N-CA 125.918 1.687 . . . . 0.0 112.06 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -169.62 -163.89 0.41 Allowed 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 125.286 1.434 . . . . 0.0 109.234 -177.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 75.08 -68.65 0.2 Allowed 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 125.928 1.691 . . . . 0.0 112.416 169.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 13.2 mp0 -135.38 109.55 8.31 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 125.881 1.672 . . . . 0.0 108.622 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 20.2 t -92.41 115.91 32.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 N-CA-C 105.333 -2.099 . . . . 0.0 105.333 174.127 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -91.33 143.93 26.12 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 121.504 -0.747 . . . . 0.0 109.799 -168.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -52.38 -33.95 45.7 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.182 0.993 . . . . 0.0 113.048 -176.176 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -58.76 -32.69 69.5 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 120.818 -1.176 . . . . 0.0 111.415 175.472 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -64.57 -49.61 70.51 Favored 'General case' 0 C--O 1.225 -0.225 0 O-C-N 121.596 -0.69 . . . . 0.0 109.705 172.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -51.83 -47.19 64.46 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.639 0.776 . . . . 0.0 110.129 177.163 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 16.5 mm -63.95 -57.65 10.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 C-N-CA 122.979 0.511 . . . . 0.0 111.196 179.021 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 29.2 p -60.47 -33.67 72.92 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.265 -0.897 . . . . 0.0 111.132 -177.32 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -58.76 -48.92 79.55 Favored 'General case' 0 C--N 1.34 0.165 0 C-N-CA 125.914 1.685 . . . . 0.0 110.358 169.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.23 -48.24 62.16 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 172.367 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -51.94 -59.04 9.2 Favored Glycine 0 CA--C 1.524 0.639 0 CA-C-O 119.382 -0.677 . . . . 0.0 111.725 175.448 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.76 -49.26 68.6 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.335 1.067 . . . . 0.0 111.155 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 47.7 tp -59.12 -33.82 71.31 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.307 1.043 . . . . 0.0 111.033 -179.218 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.87 -50.14 25.7 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 118.342 0.519 . . . . 0.0 111.218 171.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 66.7 mtp -58.37 -19.91 39.54 Favored 'General case' 0 N--CA 1.46 0.047 0 C-N-CA 126.204 1.802 . . . . 0.0 113.574 -169.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 11.0 tp -51.26 -40.07 22.21 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 CA-C-N 118.47 0.577 . . . . 0.0 110.792 169.418 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 65.07 -41.21 0.3 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 127.319 2.248 . . . . 0.0 114.501 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -56.97 139.48 51.87 Favored 'General case' 0 N--CA 1.455 -0.211 0 O-C-N 120.7 -1.25 . . . . 0.0 107.673 167.279 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 66.56 -61.16 0.32 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.226 1.411 . . . . 0.0 111.855 -170.409 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.48 -55.63 17.84 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.689 1.195 . . . . 0.0 112.466 -176.314 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 94.9 mt . . . . . 0 CA--C 1.531 0.245 0 C-N-CA 124.345 1.058 . . . . 0.0 109.51 169.874 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.1 m . . . . . 0 N--CA 1.446 -0.627 0 CA-C-O 118.226 -0.892 . . . . 0.0 113.347 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -46.04 -36.31 15.95 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 122.76 2.307 . . . . 0.0 113.809 175.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 88.0 mt -59.71 -49.49 77.55 Favored 'General case' 0 C--N 1.341 0.205 0 CA-C-N 118.504 0.593 . . . . 0.0 109.952 175.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -37.21 74.52 Favored 'General case' 0 N--CA 1.454 -0.238 0 O-C-N 122.07 -0.393 . . . . 0.0 110.886 -176.535 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.42 -50.99 68.36 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 170.035 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.43 -53.89 53.0 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 122.463 0.305 . . . . 0.0 110.218 -175.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.8 mt -55.24 -51.79 51.93 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 C-N-CA 123.224 0.61 . . . . 0.0 109.379 177.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.56 -58.51 9.0 Favored Glycine 0 CA--C 1.526 0.721 0 C-N-CA 124.0 0.81 . . . . 0.0 111.353 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.16 -50.53 73.18 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 117.153 0.476 . . . . 0.0 110.441 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.8 tp -54.45 -55.87 24.46 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.767 0.827 . . . . 0.0 110.935 -176.068 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mp -63.68 -41.83 93.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -44.97 -57.82 5.24 Favored Glycine 0 CA--C 1.526 0.769 0 C-N-CA 125.769 1.652 . . . . 0.0 112.23 175.28 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.8 tp -74.2 -45.27 47.97 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 CA-C-N 117.618 0.709 . . . . 0.0 110.72 178.268 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -51.23 -50.3 59.41 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 122.664 0.386 . . . . 0.0 110.989 -172.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -61.37 -32.76 72.69 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 119.824 -0.751 . . . . 0.0 111.84 -176.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -71.9 -52.92 14.91 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 178.38 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -55.06 -51.1 67.39 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.336 0.654 . . . . 0.0 110.582 -179.373 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 90.4 p -72.61 -34.93 67.7 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.117 0.567 . . . . 0.0 111.373 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -50.66 -27.97 14.25 Favored Glycine 0 CA--C 1.526 0.769 0 C-N-CA 125.309 1.433 . . . . 0.0 113.178 177.508 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -48.95 -38.23 22.34 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 117.804 0.802 . . . . 0.0 111.925 171.268 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -68.76 -54.92 13.15 Favored 'General case' 0 N--CA 1.457 -0.111 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 173.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.78 -176.91 39.79 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -56.03 -23.88 35.95 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.747 1.219 . . . . 0.0 112.933 -177.51 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -67.95 -7.06 25.49 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.825 0.85 . . . . 0.0 112.322 177.095 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.8 p-80 47.08 62.6 2.31 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.82 1.648 . . . . 0.0 111.661 170.672 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.9 t -130.69 152.69 49.78 Favored 'General case' 0 N--CA 1.443 -0.825 0 C-N-CA 125.311 1.444 . . . . 0.0 107.85 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.9 mp -92.88 116.66 29.24 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 106.525 -1.658 . . . . 0.0 106.525 174.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.5 p -97.6 173.94 6.89 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 124.662 1.185 . . . . 0.0 108.335 168.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -43.08 -34.96 1.15 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.142 0.577 . . . . 0.0 111.881 168.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -59.75 -62.51 1.82 Allowed 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 118.679 0.672 . . . . 0.0 110.108 178.277 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.5 mp0 -57.4 -44.18 84.34 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 122.891 0.476 . . . . 0.0 109.947 -177.365 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.7 tt -54.23 -62.75 1.45 Allowed 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.468 0.707 . . . . 0.0 109.307 177.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -56.53 -53.65 55.02 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.227 0.611 . . . . 0.0 109.564 -175.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.75 -53.66 14.56 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.232 0.613 . . . . 0.0 110.06 178.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.8 tp -57.5 -62.46 1.76 Allowed 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 121.024 -0.27 . . . . 0.0 110.592 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 34.6 pt -63.79 -34.49 68.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 119.729 -0.788 . . . . 0.0 111.462 -170.372 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -65.63 -52.7 49.8 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.111 0.964 . . . . 0.0 110.099 178.23 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -62.24 -44.31 96.84 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.456 0.571 . . . . 0.0 111.065 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 . . . . . 0 CA--C 1.53 0.189 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 173.378 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 . . . . . 0 N--CA 1.447 -0.61 0 CA-C-O 118.168 -0.92 . . . . 0.0 110.693 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 65.1 mt -56.59 -56.09 15.86 Favored 'Isoleucine or valine' 0 C--N 1.345 0.399 0 CA-C-N 120.001 1.273 . . . . 0.0 109.625 175.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.5 p -63.07 -39.62 85.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-O 119.146 -0.454 . . . . 0.0 110.62 -177.313 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -56.97 -51.87 67.5 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.926 0.784 . . . . 0.0 110.801 174.265 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.9 mt -59.9 -48.41 81.8 Favored 'General case' 0 N--CA 1.455 -0.177 0 O-C-N 122.141 -0.349 . . . . 0.0 110.282 -178.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 54.5 mtt -54.62 -53.34 55.92 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 176.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -52.98 -52.95 56.52 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.734 0.814 . . . . 0.0 110.977 178.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -63.52 -49.17 74.57 Favored 'General case' 0 N--CA 1.455 -0.186 0 O-C-N 122.269 -0.269 . . . . 0.0 111.485 -177.085 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 56.0 tp -57.04 -45.3 83.26 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 178.324 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -59.9 -52.35 65.78 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 122.639 0.375 . . . . 0.0 110.588 178.153 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.8 ttp-105 -50.45 -43.64 55.27 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 122.472 0.309 . . . . 0.0 110.19 175.265 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.28 -45.2 81.27 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 119.166 -0.445 . . . . 0.0 111.095 -178.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -107.07 29.22 7.29 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.791 0.836 . . . . 0.0 112.578 -169.487 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.4 t0 44.58 44.98 7.68 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.644 1.178 . . . . 0.0 111.699 -178.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . 0.308 0.9 OUTLIER 50.44 13.35 0.12 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 128.181 2.592 . . . . 0.0 116.3 -174.844 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -94.62 90.25 6.07 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 172.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 79.6 t -92.08 99.96 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 N-CA-C 105.445 -2.058 . . . . 0.0 105.445 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -90.77 170.14 10.37 Favored 'General case' 0 N--CA 1.461 0.124 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 -175.069 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -44.27 -51.25 8.5 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -169.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -61.61 -35.45 77.9 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.201 -0.937 . . . . 0.0 111.465 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -71.18 -38.9 72.12 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 121.77 -0.581 . . . . 0.0 110.027 176.411 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -56.05 -50.2 71.62 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.417 0.553 . . . . 0.0 109.907 171.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 20.3 mm -54.68 -50.24 61.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 O-C-N 121.967 -0.458 . . . . 0.0 109.98 176.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.9 m -55.3 -42.06 73.16 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.768 -0.582 . . . . 0.0 110.596 175.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -62.43 -37.99 88.01 Favored 'General case' 0 C--O 1.224 -0.259 0 C-N-CA 123.316 0.646 . . . . 0.0 111.09 176.331 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.2 tt -56.1 -49.89 72.58 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 173.213 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.42 -56.19 13.93 Favored Glycine 0 CA--C 1.53 0.969 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.881 172.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.45 -49.06 78.67 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 117.628 0.714 . . . . 0.0 111.652 -177.336 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.7 tp -52.99 -57.45 10.29 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.155 0.982 . . . . 0.0 109.053 176.27 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.4 -41.62 66.15 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 122.931 0.492 . . . . 0.0 111.247 178.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 39.4 ttm -55.67 -33.1 63.8 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.23 0.612 . . . . 0.0 111.7 178.451 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 36.2 mm -60.46 -29.88 45.37 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 CA-C-N 119.649 1.113 . . . . 0.0 111.255 174.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -91.6 -2.09 57.23 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.209 1.003 . . . . 0.0 112.244 175.592 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.0 p30 12.76 -83.12 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 128.828 2.851 . . . . 0.0 115.143 174.283 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -40.0 -42.12 1.33 Allowed 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.656 1.582 . . . . 0.0 111.909 -177.042 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -43.85 -34.24 1.56 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.962 1.305 . . . . 0.0 113.564 178.471 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.539 0.538 0 N-CA-C 113.882 1.068 . . . . 0.0 113.882 175.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.539 0.548 0 CA-C-O 118.816 -0.612 . . . . 0.0 109.66 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -60.87 -45.93 18.38 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 122.077 1.851 . . . . 0.0 111.338 178.077 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 60.3 tp -59.52 -46.56 88.51 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 122.829 0.452 . . . . 0.0 110.155 176.232 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -54.58 -49.14 71.08 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 118.054 0.388 . . . . 0.0 111.034 175.303 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.34 -42.53 70.34 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 122.973 0.509 . . . . 0.0 110.638 173.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.47 -50.53 58.69 Favored 'General case' 0 CA--C 1.528 0.123 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -175.296 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 91.1 mt -55.18 -50.4 64.41 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.165 0 C-N-CA 123.692 0.797 . . . . 0.0 108.967 174.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.47 -54.46 24.1 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 124.05 0.833 . . . . 0.0 111.084 178.326 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 55.0 tp -57.34 -51.67 68.46 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.816 0.447 . . . . 0.0 110.428 179.058 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 21.8 tp -53.79 -56.46 17.34 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.252 1.021 . . . . 0.0 111.023 -179.387 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 23.8 mm -57.02 -44.1 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 123.941 0.897 . . . . 0.0 109.053 178.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -50.27 -66.84 2.14 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 123.968 0.794 . . . . 0.0 111.265 174.085 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 7.8 tp -55.64 -43.97 75.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-N 117.948 0.874 . . . . 0.0 110.555 -176.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -55.61 -48.39 74.98 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 122.04 -0.412 . . . . 0.0 111.232 176.099 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -62.79 -31.45 72.43 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.2 0.6 . . . . 0.0 111.467 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -56.83 -41.2 77.44 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 119.353 0.979 . . . . 0.0 110.042 175.323 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -71.9 -66.76 0.6 Allowed 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 172.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 45.9 m -73.75 69.79 1.35 Allowed 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 124.426 1.091 . . . . 0.0 109.344 179.19 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 174.75 -20.24 0.05 OUTLIER Glycine 0 CA--C 1.531 1.083 0 C-N-CA 126.696 2.093 . . . . 0.0 110.981 -170.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -71.21 71.19 0.59 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.566 1.147 . . . . 0.0 112.79 -173.243 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 65.36 -68.45 0.11 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 128.094 2.558 . . . . 0.0 113.241 169.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.09 -61.66 1.56 Allowed Glycine 0 CA--C 1.523 0.54 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 -177.119 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.36 40.1 0.48 Allowed 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.921 0.888 . . . . 0.0 111.209 -169.502 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.59 53.26 1.83 Allowed 'General case' 0 CA--C 1.531 0.218 0 O-C-N 121.021 -1.05 . . . . 0.0 111.702 -175.098 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -150.99 -53.49 0.14 Allowed 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.547 1.139 . . . . 0.0 111.259 -173.524 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 36.0 p -146.91 173.15 12.68 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 125.686 1.594 . . . . 0.0 107.115 -169.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 91.8 mt -88.25 76.89 8.34 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 105.438 -2.06 . . . . 0.0 105.438 174.617 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 14.0 m -89.62 171.41 9.7 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 114.462 -1.245 . . . . 0.0 108.524 -178.331 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -24.75 -62.35 0.06 Allowed 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 126.931 2.093 . . . . 0.0 114.258 -168.504 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -53.94 -52.29 61.11 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 121.233 0.539 . . . . 0.0 109.945 -176.612 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -63.89 -41.84 97.62 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 123.762 0.825 . . . . 0.0 110.849 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 52.2 tp -58.33 -51.57 69.24 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 179.269 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -63.24 -47.96 80.27 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 122.279 -0.263 . . . . 0.0 110.61 -178.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -53.53 -49.26 68.0 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 122.211 -0.306 . . . . 0.0 110.806 173.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 50.4 tp -55.31 -60.02 3.99 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 118.323 -0.846 . . . . 0.0 109.53 -179.052 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 24.2 pt -58.93 -41.84 84.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 CA-C-N 119.491 1.042 . . . . 0.0 110.75 -176.478 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -54.53 -46.21 73.51 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 122.511 0.324 . . . . 0.0 110.804 177.373 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt . . . . . 0 CA--C 1.538 0.505 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 179.373 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 13.6 tp . . . . . 0 CA--C 1.531 0.226 0 CA-C-O 120.812 0.339 . . . . 0.0 110.132 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 34.2 ttp -54.79 -52.84 61.36 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.908 0.883 . . . . 0.0 109.951 174.054 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -54.09 -50.96 65.63 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 122.89 0.476 . . . . 0.0 110.678 178.49 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -53.39 -51.24 63.17 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.355 0.662 . . . . 0.0 111.419 176.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 57.0 mt -58.94 -48.04 82.91 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 122.421 0.288 . . . . 0.0 111.037 178.264 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -58.5 -49.61 76.76 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 123.499 0.719 . . . . 0.0 111.451 -179.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 18.4 mtp-105 57.36 -70.75 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 127.092 2.157 . . . . 0.0 111.81 -168.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -128.75 -0.4 5.42 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.905 1.682 . . . . 0.0 110.559 -173.06 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp 72.3 -56.55 0.65 Allowed 'General case' 0 C--N 1.344 0.332 0 C-N-CA 126.717 2.007 . . . . 0.0 111.626 -178.22 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -71.93 71.25 0.79 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 106.223 -1.769 . . . . 0.0 106.223 167.248 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -141.36 144.04 34.32 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 126.003 1.721 . . . . 0.0 107.283 -168.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -119.34 129.72 55.0 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 105.22 -2.141 . . . . 0.0 105.22 169.402 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 93.9 t -104.48 127.21 59.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 -179.049 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -92.29 155.95 17.6 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.853 0.861 . . . . 0.0 109.919 -175.225 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -47.75 -46.4 30.0 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.354 0.662 . . . . 0.0 112.635 177.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 68.3 tp60 -63.02 -36.89 85.06 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.194 -0.942 . . . . 0.0 110.789 178.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -64.5 -45.45 87.23 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 176.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -53.35 -50.66 64.56 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 122.986 0.515 . . . . 0.0 111.002 173.466 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 14.0 mm -56.2 -58.42 5.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 122.963 0.505 . . . . 0.0 110.484 178.432 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 2.5 m -60.29 -39.57 87.41 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.485 -0.759 . . . . 0.0 110.094 -176.526 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -54.83 -44.32 73.78 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.647 1.179 . . . . 0.0 110.672 171.053 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.6 tt -55.11 -50.45 69.18 Favored 'General case' 0 C--N 1.34 0.159 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 176.23 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -52.23 -58.48 10.74 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 112.054 -0.418 . . . . 0.0 112.054 175.503 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.0 -43.94 74.07 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.241 1.016 . . . . 0.0 111.741 -177.268 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 4.7 tt -62.94 -62.21 1.87 Allowed 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 176.293 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -50.2 -38.39 39.83 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.355 1.062 . . . . 0.0 112.509 -176.024 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 50.1 ttp -45.37 -33.49 2.56 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.741 1.216 . . . . 0.0 112.996 177.677 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 4.6 pt -59.41 -30.22 43.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 119.038 0.836 . . . . 0.0 111.722 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -78.59 59.3 2.43 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 121.543 0.687 . . . . 0.0 110.185 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -58.19 -46.32 86.02 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 175.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 47.7 mp0 -75.58 54.63 0.78 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.243 1.417 . . . . 0.0 110.213 175.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -170.87 -55.32 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 127.381 2.272 . . . . 0.0 106.203 175.317 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 67.5 mt . . . . . 0 CA--C 1.53 0.209 0 C-N-CA 123.023 0.529 . . . . 0.0 109.99 172.422 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.235 0.336 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -41.07 -52.43 3.42 Favored 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 124.42 3.413 . . . . 0.0 114.471 -177.238 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -55.35 -53.73 52.5 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.536 0.607 . . . . 0.0 112.552 -177.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -67.96 -40.7 83.15 Favored 'General case' 0 C--O 1.231 0.099 0 O-C-N 121.544 -0.722 . . . . 0.0 110.928 -178.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -55.13 -44.05 74.7 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 173.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.479 ' HB2' HD22 ' B' ' 11' ' ' LEU . . . -68.05 -43.78 77.89 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.648 0.779 . . . . 0.0 111.197 -178.538 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 70.7 mt -55.57 -49.33 74.44 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 173.2 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.24 -53.03 36.68 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 175.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 55.5 tp -56.62 -48.39 77.59 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.242 0.617 . . . . 0.0 110.641 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 tt -56.04 -52.02 65.72 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 125.173 1.389 . . . . 0.0 110.233 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.9 mm -53.44 -51.52 40.81 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 173.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.98 -63.37 4.28 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 124.074 0.845 . . . . 0.0 111.779 179.238 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.3 pt -59.32 -41.11 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 CA-C-N 117.652 0.726 . . . . 0.0 110.814 -177.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -61.58 -51.13 69.81 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 118.599 0.636 . . . . 0.0 111.009 -179.514 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 14.4 t-80 -61.53 -38.57 87.89 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.177 178.121 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -65.88 -48.43 71.56 Favored 'General case' 0 CA--C 1.528 0.125 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -177.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -59.2 -63.3 1.35 Allowed 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 124.404 1.082 . . . . 0.0 109.381 178.165 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 m -59.78 -22.23 61.86 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.303 0.641 . . . . 0.0 111.471 -179.476 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -43.56 -31.92 1.81 Allowed Glycine 0 CA--C 1.527 0.788 0 C-N-CA 126.841 2.162 . . . . 0.0 112.605 168.68 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -69.61 69.52 0.27 Allowed 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 118.475 1.138 . . . . 0.0 109.68 169.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . 0.284 9.3 pt-20 53.49 -67.76 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 128.425 2.69 . . . . 0.0 113.549 -169.481 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 49.58 40.33 31.98 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 123.868 0.747 . . . . 0.0 111.37 -176.238 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.4 t70 60.45 -70.22 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.598 1.559 . . . . 0.0 111.644 -169.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.8 pttm -137.64 48.7 2.01 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.881 1.673 . . . . 0.0 108.442 175.361 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 50.64 44.33 27.51 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.872 1.269 . . . . 0.0 112.441 -173.322 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.4 p -116.5 174.57 6.0 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 127.606 2.362 . . . . 0.0 105.351 168.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 tt -90.71 84.04 5.83 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 -168.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.2 t -91.46 170.04 10.28 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.421 1.088 . . . . 0.0 110.491 -175.15 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -40.64 -48.92 2.99 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.558 1.143 . . . . 0.0 113.103 -173.457 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -51.02 -54.95 20.1 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.692 0.797 . . . . 0.0 110.656 175.249 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -66.76 -34.41 77.78 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.296 1.039 . . . . 0.0 110.766 -176.569 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.4 tt -61.48 -55.18 33.99 Favored 'General case' 0 C--O 1.232 0.161 0 C-N-CA 124.061 0.945 . . . . 0.0 109.601 174.42 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -55.48 -52.01 65.08 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.094 0.557 . . . . 0.0 109.715 178.491 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -55.55 -42.15 74.25 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 122.772 0.429 . . . . 0.0 110.993 176.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 59.9 tp -65.06 -48.14 74.85 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 118.824 0.738 . . . . 0.0 109.484 -177.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 82.1 mt -53.8 -53.9 23.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 174.718 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.4 tp60 -54.19 -41.27 68.38 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.245 0.618 . . . . 0.0 111.686 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -66.29 -61.26 2.11 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.222 0.609 . . . . 0.0 109.767 178.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 . . . . . 0 CA--C 1.531 0.232 0 C-N-CA 123.531 0.733 . . . . 0.0 111.486 -178.385 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 . . . . . 0 CA--C 1.536 0.431 0 CA-C-O 118.493 -0.765 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 53.8 mt -64.79 -48.35 84.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 120.227 1.376 . . . . 0.0 108.859 178.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 79.7 t -54.54 -54.27 23.78 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 175.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -53.39 -48.5 68.59 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.246 0.618 . . . . 0.0 110.936 178.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.4 tp -59.71 -50.0 75.56 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 122.748 0.419 . . . . 0.0 110.093 -179.217 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.3 tpt -63.59 -38.6 91.76 Favored 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 121.937 -0.477 . . . . 0.0 110.612 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -58.14 -51.12 71.02 Favored 'General case' 0 C--O 1.225 -0.201 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 173.253 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -55.06 -42.8 73.2 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 122.742 0.417 . . . . 0.0 111.483 176.715 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.8 tp -60.09 -46.82 88.31 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 122.898 0.479 . . . . 0.0 110.106 175.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -70.59 74.51 0.56 Allowed 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 124.165 0.986 . . . . 0.0 109.437 173.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.0 tpp85 -73.92 64.07 0.96 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.645 1.178 . . . . 0.0 110.619 -177.379 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 64.75 15.73 9.97 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.564 1.546 . . . . 0.0 111.024 -172.499 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -82.43 57.97 3.91 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.559 1.144 . . . . 0.0 108.02 176.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -77.44 60.5 2.07 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.606 0.762 . . . . 0.0 112.049 -168.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -160.4 -59.48 0.06 Allowed 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.678 1.191 . . . . 0.0 108.832 169.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -148.31 160.64 42.78 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 124.159 0.983 . . . . 0.0 111.602 172.652 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 19.1 m -118.71 157.24 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 N-CA-C 106.311 -1.737 . . . . 0.0 106.311 165.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -93.13 164.04 13.41 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 122.968 0.507 . . . . 0.0 110.703 -169.561 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -41.34 -45.06 2.93 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.382 1.073 . . . . 0.0 111.575 168.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.2 tp60 -57.7 -34.43 69.44 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 121.197 -0.939 . . . . 0.0 112.155 178.459 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -74.03 -40.13 63.08 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 121.557 -0.715 . . . . 0.0 110.277 175.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -52.42 -51.91 56.69 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 118.835 0.743 . . . . 0.0 109.962 171.381 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 16.5 mm -52.32 -55.08 11.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 C-N-CA 123.256 0.623 . . . . 0.0 110.005 174.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 25.6 m -56.71 -36.38 69.62 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.74 -0.6 . . . . 0.0 111.176 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -61.98 -41.3 97.86 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.656 0.662 . . . . 0.0 110.576 176.296 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.12 -51.9 62.77 Favored 'General case' 0 C--N 1.344 0.348 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 171.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.17 -53.63 14.65 Favored Glycine 0 CA--C 1.525 0.677 0 CA-C-N 115.272 -0.876 . . . . 0.0 112.236 175.135 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.44 -57.05 13.96 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 118.008 0.904 . . . . 0.0 110.722 -178.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.6 mp -51.96 -57.89 8.13 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 121.226 0.536 . . . . 0.0 110.247 179.405 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -52.76 -54.52 32.73 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.287 -178.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 31.5 ttp -59.41 -42.09 90.98 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.374 1.07 . . . . 0.0 110.942 -177.226 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.7 mm -55.92 -56.9 10.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 174.186 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.1 p90 -81.1 58.06 3.36 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 119.151 0.887 . . . . 0.0 111.363 173.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -37.7 -42.36 0.56 Allowed 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 126.896 2.078 . . . . 0.0 112.819 178.327 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -53.87 -32.77 54.34 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.802 0.841 . . . . 0.0 111.157 -173.001 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.01 -36.03 83.09 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 122.167 0.187 . . . . 0.0 111.445 176.44 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.5 mm? . . . . . 0 N--CA 1.456 -0.145 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 175.297 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 15.7 m . . . . . 0 CA--C 1.537 0.475 0 N-CA-C 112.505 0.558 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -57.01 -35.57 98.98 Favored 'Trans proline' 0 N--CA 1.456 -0.717 0 C-N-CA 122.636 2.224 . . . . 0.0 111.272 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 pp -54.73 -42.78 71.98 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.88 -0.513 . . . . 0.0 111.659 172.21 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -69.14 -45.66 69.54 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -178.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -53.01 -45.71 68.03 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 123.285 0.365 . . . . 0.0 110.02 173.352 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.77 -59.13 5.31 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.187 0.595 . . . . 0.0 110.523 -175.615 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 14.1 pt -61.27 -42.86 95.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.088 -179.214 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.94 -53.67 29.13 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 176.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.479 HD22 ' HB2' ' A' ' 8' ' ' ALA . 6.5 tt -57.15 -58.77 6.77 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.176 0.59 . . . . 0.0 109.994 177.596 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 55.0 mt -52.83 -51.67 60.02 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 121.154 0.502 . . . . 0.0 110.98 -175.286 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 35.5 mm -63.54 -44.63 98.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 C-N-CA 122.927 0.491 . . . . 0.0 109.984 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.17 -49.52 55.64 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 175.39 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.3 mp -58.53 -50.82 77.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 O-C-N 121.987 -0.714 . . . . 0.0 109.631 175.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -55.71 -39.37 70.96 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 117.771 0.259 . . . . 0.0 111.387 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -51.83 -36.16 47.12 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.492 1.117 . . . . 0.0 111.139 -179.219 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -59.5 -51.62 69.1 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 118.392 0.542 . . . . 0.0 110.21 177.149 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -59.72 -54.17 49.49 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.6 t -50.93 -43.35 60.06 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.627 0.771 . . . . 0.0 110.533 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.13 -35.05 63.4 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 125.044 1.307 . . . . 0.0 112.872 178.278 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -71.4 -18.04 62.37 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.412 1.106 . . . . 0.0 111.697 176.167 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 64.23 -74.05 0.05 OUTLIER 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 126.439 1.896 . . . . 0.0 111.873 -178.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.93 -61.96 1.31 Allowed Glycine 0 CA--C 1.529 0.921 0 N-CA-C 110.092 -1.203 . . . . 0.0 110.092 -169.425 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -128.13 -53.25 1.3 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.784 1.234 . . . . 0.0 111.506 172.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -150.76 -160.54 1.18 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.799 1.24 . . . . 0.0 107.954 -177.167 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 36.7 m170 -74.37 58.93 0.76 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.617 0.767 . . . . 0.0 109.078 172.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 18.2 p -146.26 170.79 16.05 Favored 'General case' 0 N--CA 1.44 -0.928 0 C-N-CA 126.381 1.872 . . . . 0.0 107.469 -167.331 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 81.5 mt -95.88 108.97 21.39 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 176.032 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 18.7 t -96.85 173.54 7.25 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 124.15 0.98 . . . . 0.0 108.939 168.652 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -44.51 -43.11 7.7 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.636 1.174 . . . . 0.0 112.604 -174.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -64.11 -45.57 88.01 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.465 -0.772 . . . . 0.0 111.907 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 46.3 mp0 -63.76 -46.49 85.05 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 177.532 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 36.7 tp -52.76 -57.47 10.06 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.16 0.984 . . . . 0.0 109.497 177.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -56.3 -43.12 78.6 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 121.915 -0.491 . . . . 0.0 110.954 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -55.92 -52.62 63.46 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 118.49 0.587 . . . . 0.0 110.113 174.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 58.3 tp -55.18 -52.73 62.4 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 122.901 0.48 . . . . 0.0 110.814 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 1.7 mp -54.93 -53.87 29.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 122.992 0.517 . . . . 0.0 109.788 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -57.69 -43.38 85.07 Favored 'General case' 0 CA--C 1.529 0.169 0 O-C-N 122.006 -0.434 . . . . 0.0 110.591 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt . . . . . 0 N--CA 1.451 -0.4 0 C-N-CA 122.791 0.437 . . . . 0.0 110.543 179.718 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 15.4 mt . . . . . 0 C--O 1.232 0.161 0 N-CA-C 110.611 -0.144 . . . . 0.0 110.611 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 55.6 ttp -59.32 -58.86 6.77 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 120.894 0.378 . . . . 0.0 110.53 176.398 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -60.01 -39.63 86.46 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.278 0.631 . . . . 0.0 111.762 -174.095 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -76.79 -70.1 0.48 Allowed 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.41 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 61.2 mt -83.57 -69.2 0.65 Allowed 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.226 0.536 . . . . 0.0 111.174 -173.556 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -85.57 63.63 8.18 Favored 'General case' 0 CA--C 1.521 -0.171 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -167.311 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 63.7 mtp85 -78.65 49.41 0.88 Allowed 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 168.536 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 68.52 -37.75 0.36 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.222 1.809 . . . . 0.0 112.228 -168.488 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -56.82 -28.07 60.97 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 126.263 1.825 . . . . 0.0 114.063 -175.406 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -71.23 74.22 0.69 Allowed 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 121.675 0.75 . . . . 0.0 111.92 -174.05 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -76.25 -42.12 46.82 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 106.145 -1.798 . . . . 0.0 106.145 166.445 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -146.93 146.55 30.17 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 125.957 1.703 . . . . 0.0 109.711 168.654 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 9.2 m -135.25 155.04 36.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 C-N-CA 125.575 1.55 . . . . 0.0 107.883 168.431 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -92.47 154.02 18.74 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.26 0.624 . . . . 0.0 111.976 -168.042 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -41.97 -46.5 4.14 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.337 1.055 . . . . 0.0 112.455 171.466 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 19.4 tp60 -60.42 -34.14 73.52 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.063 -1.023 . . . . 0.0 111.675 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -70.8 -42.44 70.3 Favored 'General case' 0 N--CA 1.455 -0.188 0 O-C-N 121.817 -0.552 . . . . 0.0 109.619 175.261 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -53.02 -49.36 66.43 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.135 0.425 . . . . 0.0 110.221 171.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 12.8 mm -56.33 -51.74 60.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 122.854 0.462 . . . . 0.0 110.421 176.466 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 19.7 m -55.14 -43.12 73.88 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.554 -0.716 . . . . 0.0 110.229 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -60.5 -41.41 94.25 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.068 0.547 . . . . 0.0 111.26 174.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.02 -50.77 57.92 Favored 'General case' 0 C--N 1.341 0.232 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 173.042 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.15 -60.12 8.95 Favored Glycine 0 CA--C 1.525 0.66 0 CA-C-O 119.7 -0.5 . . . . 0.0 111.939 175.562 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.51 -45.4 66.23 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.733 0.813 . . . . 0.0 111.771 -177.376 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 48.2 tp -61.55 -62.69 1.64 Allowed 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 123.682 0.793 . . . . 0.0 109.614 176.355 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.72 -38.25 66.88 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.896 0.878 . . . . 0.0 111.505 -174.458 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 15.7 tpt -52.87 -23.57 7.34 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.993 1.317 . . . . 0.0 112.461 176.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 10.5 tt -51.55 -35.77 17.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 118.975 0.807 . . . . 0.0 111.032 174.14 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -79.08 51.18 1.12 Allowed 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.155 0.582 . . . . 0.0 110.198 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -59.21 -22.15 60.58 Favored 'General case' 0 C--O 1.223 -0.297 0 C-N-CA 123.431 0.693 . . . . 0.0 112.215 -172.198 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -43.06 -40.96 3.33 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.723 0.809 . . . . 0.0 111.244 169.356 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -80.82 -48.41 12.48 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.292 0.637 . . . . 0.0 111.397 178.701 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 1.8 mm? . . . . . 0 CA--C 1.533 0.314 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -171.252 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.5 p . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -51.5 -44.8 41.56 Favored 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 122.582 2.188 . . . . 0.0 110.99 169.474 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.9 mt -52.71 -62.18 1.81 Allowed 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.47 0.708 . . . . 0.0 109.65 174.656 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -60.85 -33.94 73.83 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -176.047 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.89 -43.43 98.86 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.284 0.493 . . . . 0.0 110.229 172.656 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.23 -49.1 75.51 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 42.6 mm -50.34 -55.17 6.61 Favored 'Isoleucine or valine' 0 C--N 1.342 0.254 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 172.354 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.79 -50.8 14.12 Favored Glycine 0 CA--C 1.527 0.81 0 C-N-CA 125.564 1.554 . . . . 0.0 112.035 178.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.77 -56.15 20.16 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 122.006 -0.703 . . . . 0.0 110.048 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.0 mt -58.26 -50.08 74.84 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-O 121.946 0.879 . . . . 0.0 111.238 -176.388 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.0 tt -68.5 -34.76 67.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.643 -177.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.73 -49.78 74.87 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 124.099 0.857 . . . . 0.0 110.971 173.238 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 75.9 mt -52.67 -53.36 20.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 174.361 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -58.8 -46.83 86.68 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -179.212 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -51.42 -42.96 61.85 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 125.505 1.522 . . . . 0.0 110.1 176.502 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -59.39 -51.47 69.76 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 120.989 0.423 . . . . 0.0 110.401 -176.373 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -62.4 -45.33 93.62 Favored 'General case' 0 C--O 1.227 -0.088 0 O-C-N 121.87 -0.519 . . . . 0.0 110.614 176.196 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.3 m -52.05 -41.53 62.39 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 122.342 0.257 . . . . 0.0 111.602 176.341 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.83 -53.14 43.13 Favored Glycine 0 CA--C 1.523 0.593 0 C-N-CA 124.733 1.158 . . . . 0.0 110.947 174.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -59.31 -37.12 76.96 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 117.577 0.688 . . . . 0.0 112.003 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -61.8 -57.72 10.77 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 118.273 0.488 . . . . 0.0 109.928 170.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.88 -71.84 0.9 Allowed Glycine 0 CA--C 1.528 0.849 0 N-CA-C 110.35 -1.1 . . . . 0.0 110.35 -175.2 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -80.48 52.85 1.71 Allowed 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.456 1.102 . . . . 0.0 111.064 -176.707 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.0 ptpp? 146.28 152.43 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 131.318 3.847 . . . . 0.0 106.814 -179.403 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -128.09 51.33 1.98 Allowed 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 122.475 1.131 . . . . 0.0 108.095 177.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 65.5 p -145.46 152.24 39.48 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 103.824 -2.658 . . . . 0.0 103.824 176.592 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.7 mp -90.88 152.32 20.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 118.977 0.808 . . . . 0.0 109.114 -169.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 m -145.97 173.18 12.38 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 126.369 1.868 . . . . 0.0 108.003 -172.282 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -35.93 -53.86 0.76 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.624 1.569 . . . . 0.0 111.893 175.718 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -42.85 -51.81 5.33 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.902 1.281 . . . . 0.0 111.536 175.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -70.99 -31.43 67.96 Favored 'General case' 0 N--CA 1.451 -0.417 0 O-C-N 121.948 -0.47 . . . . 0.0 110.959 -176.088 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.9 mt -62.87 -46.67 86.76 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 120.105 -0.638 . . . . 0.0 109.653 171.223 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 36.2 mmtp -56.41 -48.95 75.87 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.19 0.45 . . . . 0.0 110.25 176.024 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -53.44 -50.12 65.93 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 122.329 -0.232 . . . . 0.0 110.904 174.726 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 tt -56.98 -53.86 53.3 Favored 'General case' 0 C--O 1.226 -0.148 0 O-C-N 122.038 -0.414 . . . . 0.0 110.463 -179.549 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.4 mm -52.17 -46.58 44.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 123.961 0.904 . . . . 0.0 110.173 177.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.3 -53.95 51.54 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 119.3 -0.381 . . . . 0.0 110.619 178.287 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -62.78 -44.21 96.78 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 118.479 0.582 . . . . 0.0 111.115 -175.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 . . . . . 0 CA--C 1.542 0.662 0 C-N-CA 123.455 0.702 . . . . 0.0 111.289 176.437 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 N--CA 1.448 -0.563 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -63.19 -34.65 68.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 C-N-CA 122.924 0.49 . . . . 0.0 110.112 -171.176 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 41.3 t -45.76 -39.89 3.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 C-N-CA 124.29 1.036 . . . . 0.0 111.374 173.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -64.19 -43.22 95.74 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 119.039 0.836 . . . . 0.0 110.869 177.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 48.3 mt -67.54 -43.23 81.25 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -178.119 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 25.2 mmt -59.77 -43.27 94.42 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 173.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -56.14 -48.89 75.39 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.471 -0.768 . . . . 0.0 110.757 173.418 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -57.12 -44.98 83.82 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 118.393 0.542 . . . . 0.0 112.174 176.103 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 36.6 tp -55.77 -47.07 77.66 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.407 -0.808 . . . . 0.0 110.266 173.185 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -89.08 21.24 3.25 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.104 1.362 . . . . 0.0 111.6 -173.173 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 32.7 ptt-85 -54.71 -23.49 17.84 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 124.183 0.993 . . . . 0.0 113.332 -172.058 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -70.04 39.75 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.072 0.949 . . . . 0.0 111.88 169.305 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.39 39.05 2.85 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.465 1.506 . . . . 0.0 112.057 -176.175 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.8 t0 45.2 38.15 3.16 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.017 1.327 . . . . 0.0 112.541 -175.662 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -73.37 -68.83 0.47 Allowed 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 121.549 0.69 . . . . 0.0 109.502 178.772 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -136.78 102.49 4.91 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 106.889 -1.523 . . . . 0.0 106.889 176.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 52.3 t -90.16 96.89 6.58 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 N-CA-C 104.426 -2.435 . . . . 0.0 104.426 -175.23 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -88.63 159.9 17.64 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.878 -166.639 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -49.89 -37.39 31.07 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 122.156 -0.34 . . . . 0.0 111.481 174.237 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -52.66 -49.52 65.07 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 121.387 -0.821 . . . . 0.0 111.085 169.637 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -59.78 -46.38 89.37 Favored 'General case' 0 C--O 1.225 -0.217 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 178.45 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -53.23 -53.67 47.28 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.322 0.649 . . . . 0.0 111.535 176.63 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 24.3 mm -62.91 -54.44 33.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 O-C-N 121.746 -0.596 . . . . 0.0 110.898 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.6 p -58.25 -41.22 83.76 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 121.967 -0.458 . . . . 0.0 110.67 -178.211 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -54.46 -49.08 70.93 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.941 0.896 . . . . 0.0 110.887 170.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.8 tt -55.97 -50.16 71.57 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.318 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -49.98 -55.82 13.93 Favored Glycine 0 CA--C 1.532 1.099 0 N-CA-C 111.634 -0.586 . . . . 0.0 111.634 175.34 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.77 -51.45 68.84 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.712 0.805 . . . . 0.0 110.853 -179.094 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.1 tp -60.16 -43.81 95.51 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 122.939 0.496 . . . . 0.0 110.45 -178.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.37 -45.62 90.92 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 122.041 -0.412 . . . . 0.0 111.402 175.232 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 84.2 mtp -60.84 -43.6 98.09 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.988 -0.445 . . . . 0.0 110.915 176.124 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 74.1 mt -57.88 -42.43 82.26 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 174.075 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 16.1 m-30 -72.97 52.06 0.31 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.54 0.736 . . . . 0.0 110.726 170.266 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -56.61 -35.06 67.85 Favored 'General case' 0 C--O 1.22 -0.486 0 O-C-N 121.497 -0.752 . . . . 0.0 110.644 -175.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -51.28 -44.91 61.93 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.277 0.489 . . . . 0.0 111.331 175.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.43 -48.67 26.2 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 53.6 tp . . . . . 0 CA--C 1.532 0.281 0 C-N-CA 121.342 -0.143 . . . . 0.0 111.181 -174.888 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 53.6 p . . . . . 0 C--O 1.235 0.338 0 N-CA-C 106.229 -1.767 . . . . 0.0 106.229 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.61 -54.58 4.34 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.096 1.864 . . . . 0.0 110.425 175.31 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 57.2 tp -56.44 -50.44 71.66 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.316 0.646 . . . . 0.0 110.421 178.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -61.37 -45.09 95.82 Favored 'General case' 0 N--CA 1.455 -0.179 0 O-C-N 121.896 -0.503 . . . . 0.0 111.412 -176.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -60.79 -39.35 88.58 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 122.351 -0.218 . . . . 0.0 110.626 174.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.54 -49.6 76.06 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 120.92 0.39 . . . . 0.0 110.207 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 74.1 mt -58.11 -50.16 79.11 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 175.31 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.62 -55.72 10.66 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 177.359 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 60.2 tp -53.12 -57.55 10.07 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.798 0.839 . . . . 0.0 110.06 176.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 13.3 tp -50.96 -57.81 7.62 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.149 0.979 . . . . 0.0 110.919 -177.312 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 32.2 mm -62.48 -42.98 97.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 -177.049 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -45.83 -69.78 0.75 Allowed Glycine 0 CA--C 1.529 0.916 0 C-N-CA 124.042 0.83 . . . . 0.0 111.305 172.067 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 9.6 pt -61.31 -41.46 89.83 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 O-C-N 121.974 -0.721 . . . . 0.0 111.115 -175.446 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -51.31 -57.56 8.56 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 122.912 0.485 . . . . 0.0 110.753 176.428 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -64.92 -28.44 69.53 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 121.103 -0.239 . . . . 0.0 110.718 -171.218 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -74.29 -55.95 5.44 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -54.18 -46.88 72.49 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 121.014 0.435 . . . . 0.0 109.835 176.437 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 12.5 m -76.72 57.39 1.27 Allowed 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.148 0.979 . . . . 0.0 110.474 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 171.33 -67.78 0.14 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.782 -0.527 . . . . 0.0 111.782 -175.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt 44.73 -75.53 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 127.624 2.37 . . . . 0.0 114.329 -176.255 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -61.57 -35.46 77.85 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 125.072 1.349 . . . . 0.0 110.868 178.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -149.76 159.42 28.08 Favored Glycine 0 C--N 1.336 0.577 0 N-CA-C 109.093 -1.603 . . . . 0.0 109.093 177.579 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -77.31 58.87 1.72 Allowed 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.016 0.908 . . . . 0.0 111.577 -175.335 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -61.41 -44.98 96.19 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 122.954 0.501 . . . . 0.0 109.707 177.023 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 17.4 m170 55.02 24.04 5.65 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 126.424 1.89 . . . . 0.0 110.649 -175.127 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 9.4 p -147.69 155.63 41.95 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 128.018 2.527 . . . . 0.0 104.305 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 31.0 mt -93.91 151.31 19.66 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 -172.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 25.0 t -146.45 173.43 12.29 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.865 0.866 . . . . 0.0 109.109 175.312 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -45.33 -45.61 12.46 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 125.396 1.479 . . . . 0.0 110.527 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 47.1 tptt -51.59 -55.87 16.77 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.943 0.897 . . . . 0.0 111.15 177.711 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.5 mp0 -62.9 -37.28 86.31 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.017 0.527 . . . . 0.0 110.687 -178.035 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 53.5 tp -63.92 -49.44 72.6 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 120.782 0.325 . . . . 0.0 110.527 176.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -51.47 67.27 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.668 0.787 . . . . 0.0 109.49 177.251 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -55.67 -45.07 77.78 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 119.399 -0.334 . . . . 0.0 110.859 176.512 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 60.9 tp -55.62 -56.81 16.0 Favored 'General case' 0 N--CA 1.457 -0.101 0 CA-C-N 118.657 0.662 . . . . 0.0 110.683 177.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 39.9 pt -60.88 -37.14 76.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 C-N-CA 119.503 -0.879 . . . . 0.0 111.062 -178.081 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -57.21 -47.96 79.99 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 122.162 -0.337 . . . . 0.0 110.508 174.469 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt . . . . . 0 CA--C 1.53 0.183 0 C-N-CA 122.735 0.414 . . . . 0.0 111.332 178.537 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 49.2 tp . . . . . 0 C--O 1.225 -0.212 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 25.3 ttt -49.91 -62.98 1.26 Allowed 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 174.2 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -49.86 -59.7 3.61 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.927 0.891 . . . . 0.0 111.809 -178.156 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -57.65 -51.63 68.73 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.285 1.034 . . . . 0.0 111.384 -177.293 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.5 tt -81.26 -53.89 5.96 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -168.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -129.11 -15.56 4.19 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 116.687 2.106 . . . . 0.0 116.687 -165.434 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 25.73 -64.19 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 130.135 3.374 . . . . 0.0 117.692 -175.334 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -47.33 -49.41 24.24 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.777 1.231 . . . . 0.0 109.599 169.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? 66.41 -73.85 0.07 Allowed 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 125.597 1.559 . . . . 0.0 112.54 172.156 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 32.41 -111.02 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 128.133 2.573 . . . . 0.0 111.619 -175.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -119.3 -49.63 2.37 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 126.318 1.847 . . . . 0.0 110.269 176.195 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -116.74 107.12 14.27 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.599 1.16 . . . . 0.0 109.265 -172.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 95.9 t -94.14 125.35 46.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 C-N-CA 125.463 1.505 . . . . 0.0 107.316 -178.648 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -92.15 152.14 20.04 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 121.089 0.471 . . . . 0.0 110.017 -171.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -39.34 -40.08 0.74 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.839 1.656 . . . . 0.0 113.648 174.466 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.1 tp-100 -55.82 -39.91 72.03 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.04 -1.038 . . . . 0.0 111.453 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -63.12 -41.23 99.29 Favored 'General case' 0 CA--C 1.529 0.171 0 O-C-N 121.632 -0.668 . . . . 0.0 109.977 176.036 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -59.97 -48.25 82.47 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 122.849 0.459 . . . . 0.0 110.778 175.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 2.9 tp -69.29 -39.61 79.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 O-C-N 121.089 -1.007 . . . . 0.0 110.922 -176.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 14.8 p -62.6 -38.36 89.87 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.151 -0.968 . . . . 0.0 109.982 173.023 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -57.11 -39.87 75.95 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.205 0.602 . . . . 0.0 110.852 168.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 4.0 tt -59.06 -48.82 80.2 Favored 'General case' 0 CA--C 1.528 0.122 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 175.612 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -46.55 -52.24 11.32 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.601 -0.6 . . . . 0.0 111.601 170.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.94 -50.86 71.69 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 117.343 0.571 . . . . 0.0 112.012 -179.236 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 74.1 mt -52.2 -49.86 63.05 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 118.565 0.621 . . . . 0.0 110.088 175.623 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.58 -43.69 98.4 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.01 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 15.6 tpt -57.74 -43.87 85.65 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 122.045 -0.409 . . . . 0.0 110.447 175.432 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 75.4 mt -59.31 -41.34 83.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 174.253 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 9.0 m-30 -73.99 52.14 0.43 Allowed 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.525 -0.734 . . . . 0.0 110.717 171.14 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 32.6 p-10 -52.26 -38.03 57.1 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 125.104 1.361 . . . . 0.0 111.67 -177.237 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -44.98 -36.56 3.46 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.229 1.412 . . . . 0.0 112.678 174.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -80.2 -44.98 18.83 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 118.026 0.376 . . . . 0.0 110.825 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 11.0 mp . . . . . 0 N--CA 1.463 0.195 0 O-C-N 121.969 -0.457 . . . . 0.0 109.874 177.42 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.6 m . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -46.32 -59.06 1.35 Allowed 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 124.63 3.553 . . . . 0.0 113.908 -169.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -53.02 -51.31 62.12 Favored 'General case' 0 N--CA 1.457 -0.101 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 -179.349 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -61.17 -49.93 75.19 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 122.587 0.355 . . . . 0.0 111.136 -175.296 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -62.03 -36.8 82.68 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 119.557 -0.857 . . . . 0.0 110.729 178.233 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.74 -54.75 22.95 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 -178.029 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 65.8 mt -50.69 -54.69 8.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 124.795 1.238 . . . . 0.0 109.08 175.41 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.3 -49.14 52.17 Favored Glycine 0 CA--C 1.527 0.821 0 C-N-CA 123.688 0.661 . . . . 0.0 111.766 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.3 tp -66.44 -46.62 75.85 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 122.005 -0.703 . . . . 0.0 110.707 -176.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -56.05 -48.77 75.4 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 118.495 0.589 . . . . 0.0 110.524 174.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 60.2 mt -51.6 -53.43 16.52 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.297 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 174.017 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -51.9 -55.71 19.71 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 123.529 0.585 . . . . 0.0 111.839 179.03 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.4 mm -54.92 -48.71 74.59 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.108 0 C-N-CA 123.304 0.642 . . . . 0.0 110.195 -178.621 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -63.28 -53.45 52.67 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 121.528 0.68 . . . . 0.0 110.581 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -54.98 -31.92 61.17 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.861 1.665 . . . . 0.0 111.799 -178.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.4 tptt -51.06 -42.46 60.56 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 118.833 0.742 . . . . 0.0 110.317 175.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -82.54 -71.79 0.47 Allowed 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 122.198 0.999 . . . . 0.0 109.858 170.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.1 m -56.93 -30.02 63.62 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 126.053 1.741 . . . . 0.0 114.259 -167.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.75 -35.07 51.74 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 124.093 0.854 . . . . 0.0 111.706 174.575 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -65.21 -20.51 66.47 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 117.992 0.896 . . . . 0.0 111.64 178.397 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -88.48 2.43 52.86 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.8 0.84 . . . . 0.0 111.362 174.217 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 50.99 -114.35 2.74 Favored Glycine 0 C--N 1.339 0.721 0 C-N-CA 125.448 1.499 . . . . 0.0 112.117 174.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -56.22 -44.13 79.25 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.599 0.76 . . . . 0.0 110.903 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -81.71 61.98 5.33 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -177.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -69.68 74.2 0.41 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.881 1.272 . . . . 0.0 110.595 -171.15 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 66.6 p -145.96 171.5 14.75 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 129.186 2.994 . . . . 0.0 106.035 -170.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.4 mt -98.28 113.56 25.54 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 173.082 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.0 p -90.54 164.42 14.24 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 174.029 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -34.93 -54.79 0.58 Allowed 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 114.217 1.192 . . . . 0.0 114.217 -172.26 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -59.21 -47.72 84.27 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 122.639 0.376 . . . . 0.0 111.479 -179.06 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -62.91 -47.37 83.54 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.094 0.558 . . . . 0.0 109.765 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -55.97 -56.33 22.05 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.736 0.815 . . . . 0.0 109.18 178.458 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -52.59 -54.14 37.11 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.632 0.773 . . . . 0.0 110.842 178.576 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -57.46 -47.84 80.76 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 -178.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 58.0 tp -56.13 -55.22 35.7 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 122.723 0.409 . . . . 0.0 110.207 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 28.5 pt -64.41 -42.0 94.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 C-N-CA 119.739 -0.784 . . . . 0.0 110.937 -174.538 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.57 -50.38 70.21 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.498 0.59 . . . . 0.0 110.165 174.093 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -60.86 -55.54 31.87 Favored 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 122.184 -0.323 . . . . 0.0 110.511 -177.345 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 52.3 tt0 . . . . . 0 N--CA 1.45 -0.433 0 C-N-CA 123.192 0.597 . . . . 0.0 110.554 -179.729 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 . . . . . 0 N--CA 1.449 -0.523 0 CA-C-O 117.837 -1.078 . . . . 0.0 110.247 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -64.49 -43.99 96.92 Favored 'Isoleucine or valine' 0 C--N 1.342 0.281 0 CA-C-N 120.263 1.392 . . . . 0.0 109.748 -169.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 79.1 t -56.21 -59.62 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 C-N-CA 123.418 0.687 . . . . 0.0 109.38 176.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -57.91 -50.84 71.98 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 117.938 0.335 . . . . 0.0 110.52 -176.133 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 58.6 tp -52.45 -63.09 1.25 Allowed 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 125.458 1.503 . . . . 0.0 110.343 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 45.4 ttp -60.07 -49.46 77.58 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.031 -175.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -55.87 -55.09 36.66 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 122.436 0.294 . . . . 0.0 110.684 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -61.27 -47.46 85.9 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 123.159 0.287 . . . . 0.0 110.385 -174.598 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 85.8 mt -62.91 -48.75 77.61 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.749 179.197 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -62.61 -58.38 7.72 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -176.168 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 35.81 47.25 0.38 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.542 1.537 . . . . 0.0 112.833 -168.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 64.07 68.68 0.56 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.588 1.555 . . . . 0.0 111.587 179.468 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -133.04 -47.75 0.85 Allowed 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 123.8 0.84 . . . . 0.0 111.527 171.133 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.1 t70 66.11 -66.47 0.17 Allowed 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 126.924 2.09 . . . . 0.0 113.078 177.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . 0.258 0.0 OUTLIER -65.8 -42.8 90.26 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -169.314 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -145.84 123.54 11.86 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.497 1.119 . . . . 0.0 109.446 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 69.1 t -97.62 133.58 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 170.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -92.73 150.1 20.88 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.469 0.707 . . . . 0.0 109.548 -176.475 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -40.01 -42.6 1.42 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 126.057 1.743 . . . . 0.0 113.089 175.601 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -56.14 -34.16 65.85 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.578 -0.701 . . . . 0.0 112.089 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -72.05 -43.44 64.93 Favored 'General case' 0 C--O 1.227 -0.101 0 CA-C-N 118.759 0.709 . . . . 0.0 110.666 177.01 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -52.08 -49.54 63.35 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 172.396 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 14.9 mm -60.75 -47.57 92.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 C-N-CA 122.909 0.484 . . . . 0.0 111.078 177.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 41.3 m -53.98 -43.94 70.39 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.315 -0.865 . . . . 0.0 109.754 175.675 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -65.11 -41.21 95.12 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.07 0.548 . . . . 0.0 111.023 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.49 ' CD1' HG22 ' B' ' 9' ' ' ILE . 4.6 tp -51.24 -48.66 62.07 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 169.658 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -52.65 -57.54 13.78 Favored Glycine 0 C--O 1.222 -0.603 0 CA-C-O 118.982 -0.899 . . . . 0.0 111.626 173.359 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.59 -53.58 44.74 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 118.426 1.113 . . . . 0.0 111.408 -178.567 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.8 mt -46.89 -47.62 21.41 Favored 'General case' 0 C--O 1.226 -0.17 0 C-N-CA 124.423 1.089 . . . . 0.0 110.71 178.207 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.97 -58.73 3.72 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.866 0.365 . . . . 0.0 110.973 176.553 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 21.8 ttt -55.56 -28.59 55.84 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 126.631 1.972 . . . . 0.0 113.749 -169.043 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 17.7 pt -57.31 -29.01 31.78 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-N 119.363 0.983 . . . . 0.0 112.174 173.709 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 54.21 16.43 1.19 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.882 1.273 . . . . 0.0 114.104 173.205 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.25 -44.65 92.36 Favored 'General case' 0 CA--C 1.524 -0.049 0 C-N-CA 124.047 0.939 . . . . 0.0 110.229 -173.251 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -78.81 54.42 1.54 Allowed 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 122.963 0.505 . . . . 0.0 111.089 -179.551 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 46.06 57.17 5.42 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.344 1.057 . . . . 0.0 110.212 -176.071 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.2 tp . . . . . 0 CA--C 1.531 0.249 0 C-N-CA 125.452 1.501 . . . . 0.0 112.819 -176.512 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 CA--C 1.54 0.584 0 N-CA-C 116.427 2.01 . . . . 0.0 116.427 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -58.99 -49.2 11.83 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.973 1.782 . . . . 0.0 112.25 175.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 62.6 tp -62.3 -45.56 92.7 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 178.161 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -54.3 -56.02 22.59 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 120.705 0.288 . . . . 0.0 111.636 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -65.19 -29.14 69.93 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 120.181 -0.608 . . . . 0.0 110.863 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.7 -51.82 60.42 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.777 0.717 . . . . 0.0 110.609 176.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.49 HG22 ' CD1' ' A' ' 77' ' ' LEU . 19.7 pt -62.0 -41.26 90.31 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.131 0 O-C-N 121.945 -0.472 . . . . 0.0 109.765 177.286 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.22 -52.19 23.64 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 171.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.9 tp -60.74 -50.74 72.25 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.528 0.731 . . . . 0.0 110.462 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 66.7 mt -55.87 -46.54 78.23 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.357 0.526 . . . . 0.0 111.439 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 72.2 mt -60.49 -51.62 70.94 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 C-N-CA 123.846 0.858 . . . . 0.0 109.293 176.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.36 -53.71 33.56 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 15.2 mm -53.89 -46.45 64.18 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 C-N-CA 123.924 0.89 . . . . 0.0 109.999 176.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -54.54 -58.77 6.2 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.522 0.677 . . . . 0.0 110.492 176.389 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -60.0 -28.82 68.02 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.043 -176.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -62.41 -47.86 82.25 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 175.269 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -57.75 -49.16 77.52 Favored 'General case' 0 C--N 1.34 0.163 0 CA-C-N 118.349 0.522 . . . . 0.0 110.263 175.326 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 13.7 m -48.78 -49.96 36.22 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 120.734 0.302 . . . . 0.0 110.569 175.214 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.19 -42.64 98.71 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 125.502 1.525 . . . . 0.0 112.436 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -71.62 64.31 0.44 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.104 0.952 . . . . 0.0 110.775 176.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 49.2 40.29 17.52 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.946 1.298 . . . . 0.0 111.631 177.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.49 -53.46 1.23 Allowed Glycine 0 CA--C 1.523 0.532 0 N-CA-C 109.785 -1.326 . . . . 0.0 109.785 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 32.9 t0 66.96 153.87 0.09 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.767 2.027 . . . . 0.0 111.667 -173.355 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp 63.33 166.71 0.13 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.691 1.596 . . . . 0.0 112.094 -177.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -97.21 59.5 1.61 Allowed 'General case' 0 N--CA 1.458 -0.05 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 169.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 45.2 p -144.08 147.2 33.45 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 103.889 -2.634 . . . . 0.0 103.889 174.458 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 80.9 mt -92.09 113.4 25.66 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 178.467 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 36.1 t -88.54 167.39 13.46 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 175.614 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -42.29 -49.0 5.08 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.951 0.901 . . . . 0.0 112.882 -169.596 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 20.4 ttpp -62.41 -42.77 99.68 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.872 -0.518 . . . . 0.0 111.41 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -64.08 -44.41 92.45 Favored 'General case' 0 C--N 1.334 -0.069 0 O-C-N 121.471 -0.768 . . . . 0.0 109.938 178.57 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -54.84 -50.94 67.39 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 174.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -52.75 -49.31 65.73 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.466 0.706 . . . . 0.0 110.98 175.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -54.67 -48.31 72.52 Favored 'General case' 0 N--CA 1.464 0.227 0 O-C-N 121.26 -0.9 . . . . 0.0 110.993 175.36 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 10.0 tt -57.18 -56.23 24.53 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 119.313 -0.375 . . . . 0.0 110.791 178.661 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 44.8 pt -65.99 -32.05 56.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 118.82 0.736 . . . . 0.0 111.947 -174.248 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -60.64 -59.12 5.9 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 118.315 0.507 . . . . 0.0 109.89 170.027 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt . . . . . 0 CA--C 1.533 0.293 0 C-N-CA 123.608 0.763 . . . . 0.0 111.014 -176.746 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 81.5 mt . . . . . 0 CA--C 1.53 0.199 0 N-CA-C 110.575 -0.158 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 62.1 tpp -51.97 -53.32 42.81 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 176.224 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -55.3 -48.74 73.66 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.816 0.847 . . . . 0.0 111.134 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -55.98 -49.6 73.13 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.313 0.645 . . . . 0.0 110.869 -179.611 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 88.7 mt -64.91 -43.78 91.71 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 120.49 0.186 . . . . 0.0 110.746 178.114 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -58.52 -48.04 82.17 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.122 0.969 . . . . 0.0 111.509 -178.442 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 62.45 -69.25 0.06 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 126.603 1.961 . . . . 0.0 111.497 -173.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -158.15 26.34 0.25 Allowed 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.151 1.38 . . . . 0.0 110.725 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -95.75 2.83 54.11 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.048 0.939 . . . . 0.0 112.298 -175.443 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -49.06 -23.08 1.05 Allowed 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 115.261 1.578 . . . . 0.0 115.261 -171.326 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -61.38 -48.02 83.17 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 118.456 0.571 . . . . 0.0 110.673 174.68 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -145.86 96.05 2.74 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 127.332 2.253 . . . . 0.0 109.319 -175.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 93.0 t -92.61 138.86 19.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -91.05 152.9 20.47 Favored 'General case' 0 C--N 1.332 -0.155 0 O-C-N 121.132 -0.98 . . . . 0.0 110.934 -168.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -40.01 -52.77 2.45 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.989 0.916 . . . . 0.0 112.873 173.432 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -62.06 -22.97 66.2 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 120.88 -1.137 . . . . 0.0 112.342 -178.223 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -71.53 -36.11 70.92 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 119.139 0.881 . . . . 0.0 110.698 171.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -61.5 -46.63 89.19 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.397 0.999 . . . . 0.0 108.358 174.339 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 43.8 mm -59.56 -60.41 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.313 178.058 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 36.0 p -61.31 -30.89 70.77 Favored 'General case' 0 C--O 1.225 -0.199 0 O-C-N 121.379 -0.826 . . . . 0.0 110.752 -177.102 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.86 -47.26 86.47 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.608 0.64 . . . . 0.0 111.239 169.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.6 -49.66 64.62 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 173.73 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -46.98 -66.89 1.64 Allowed Glycine 0 C--O 1.221 -0.672 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.476 175.024 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.25 -50.21 59.65 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.862 1.265 . . . . 0.0 111.516 -177.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 9.0 tt -49.71 -50.26 44.59 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 124.486 1.115 . . . . 0.0 110.408 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.46 -46.95 58.55 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 120.793 0.33 . . . . 0.0 111.344 175.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 23.6 ttp -59.85 -19.71 52.76 Favored 'General case' 0 C--N 1.333 -0.136 0 C-N-CA 126.235 1.814 . . . . 0.0 112.885 -169.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 13.5 tt -47.08 -37.83 4.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-N 118.016 0.371 . . . . 0.0 111.279 169.356 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 55.66 12.3 0.79 Allowed 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 115.1 1.519 . . . . 0.0 115.1 173.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -62.12 156.64 21.08 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 120.998 -1.064 . . . . 0.0 110.487 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 55.93 39.53 30.57 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.849 0.859 . . . . 0.0 110.785 -177.481 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 50.0 50.65 18.12 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.93 0.892 . . . . 0.0 110.059 -172.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 13.7 tp . . . . . 0 CA--C 1.532 0.276 0 C-N-CA 124.759 1.224 . . . . 0.0 109.889 -169.951 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.533 0.32 0 CA-C-O 118.25 -0.881 . . . . 0.0 113.156 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.33 -46.71 30.54 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 122.309 2.006 . . . . 0.0 112.547 177.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.5 mt -60.52 -49.47 77.43 Favored 'General case' 0 CA--C 1.528 0.125 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 178.319 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -58.91 -45.17 90.96 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 122.584 0.353 . . . . 0.0 111.854 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -58.14 -43.32 87.27 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.923 0.889 . . . . 0.0 109.526 175.119 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.13 -47.96 77.91 Favored 'General case' 0 CA--C 1.529 0.157 0 O-C-N 122.138 -0.351 . . . . 0.0 110.376 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 91.7 mt -53.41 -46.29 58.34 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 173.24 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.1 -54.75 17.79 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 125.119 1.342 . . . . 0.0 111.415 173.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.8 mt -55.62 -50.68 69.53 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 117.234 0.517 . . . . 0.0 110.27 176.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 mp -57.07 -56.74 17.81 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.563 0.619 . . . . 0.0 111.674 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.5 tt -62.78 -39.29 84.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 O-C-N 121.76 -0.588 . . . . 0.0 110.299 -177.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.94 -54.84 32.44 Favored Glycine 0 CA--C 1.528 0.894 0 N-CA-C 110.72 -0.952 . . . . 0.0 110.72 173.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 69.5 mt -55.45 -44.13 74.77 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 C-N-CA 123.645 0.778 . . . . 0.0 109.699 177.46 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -57.81 -52.04 67.09 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 118.418 0.554 . . . . 0.0 110.583 177.043 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -61.18 -34.82 75.68 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 121.874 -0.516 . . . . 0.0 111.08 179.547 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -67.11 -59.75 3.19 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -78.8 -77.58 0.17 Allowed 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.9 1.28 . . . . 0.0 110.307 -173.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -53.59 -45.06 69.88 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 123.301 0.64 . . . . 0.0 110.46 -177.535 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.29 9.48 47.96 Favored Glycine 0 CA--C 1.529 0.932 0 CA-C-O 118.369 -1.24 . . . . 0.0 114.233 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 37.66 53.74 1.46 Allowed 'General case' 0 C--O 1.234 0.251 0 C-N-CA 125.731 1.612 . . . . 0.0 112.143 177.667 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 44.96 27.7 0.3 Allowed 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.792 2.037 . . . . 0.0 114.275 178.565 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 141.65 -45.42 0.95 Allowed Glycine 0 C--N 1.337 0.601 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -173.284 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -76.49 70.86 3.09 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 117.784 0.792 . . . . 0.0 109.538 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -47.18 127.29 10.39 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.855 1.662 . . . . 0.0 113.409 -170.214 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -155.83 166.89 32.15 Favored 'General case' 0 N--CA 1.44 -0.972 0 C-N-CA 127.4 2.28 . . . . 0.0 107.169 -178.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 65.3 p -96.0 175.72 6.38 Favored 'General case' 0 N--CA 1.439 -1.019 0 C-N-CA 127.35 2.26 . . . . 0.0 105.809 170.502 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 tt -88.73 77.24 7.91 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 105.946 -1.872 . . . . 0.0 105.946 -170.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.6 p -93.13 172.51 8.26 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 114.926 -1.033 . . . . 0.0 110.36 -177.718 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.8 pttp -32.2 -43.94 0.08 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.844 1.657 . . . . 0.0 112.69 168.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -57.08 -58.75 6.84 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 121.62 0.724 . . . . 0.0 110.855 177.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.4 mp0 -61.77 -39.83 93.02 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.886 0.874 . . . . 0.0 109.37 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.3 tp -59.67 -57.99 10.52 Favored 'General case' 0 N--CA 1.453 -0.309 0 O-C-N 121.85 -0.531 . . . . 0.0 109.926 178.447 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -60.38 -37.38 80.58 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 118.739 0.699 . . . . 0.0 110.975 -177.501 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -53.17 -56.31 17.4 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 172.367 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.3 tt -57.39 -50.73 72.04 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 122.875 0.47 . . . . 0.0 110.948 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 34.8 mm -55.44 -53.95 30.54 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 -179.418 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -56.81 -47.78 79.49 Favored 'General case' 0 CA--C 1.531 0.228 0 O-C-N 122.265 -0.272 . . . . 0.0 111.009 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -66.74 -53.59 31.74 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-O 120.682 0.277 . . . . 0.0 111.699 -174.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 . . . . . 0 N--CA 1.453 -0.312 0 C-N-CA 123.153 0.581 . . . . 0.0 111.792 -174.371 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 118.772 -0.632 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 82.7 mt -60.64 -49.98 82.26 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 CA-C-N 119.579 1.081 . . . . 0.0 109.39 -179.278 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 69.4 t -56.45 -48.09 80.64 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 123.606 0.763 . . . . 0.0 110.017 177.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -57.41 -50.97 71.28 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 122.128 -0.357 . . . . 0.0 110.628 178.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 79.3 mt -58.07 -51.75 68.38 Favored 'General case' 0 N--CA 1.457 -0.099 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 55.1 mtt -51.99 -52.91 47.37 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 122.499 0.32 . . . . 0.0 110.467 177.053 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -55.23 -49.59 71.59 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.335 0.654 . . . . 0.0 111.672 178.265 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -57.95 -52.04 67.14 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 122.881 0.473 . . . . 0.0 111.119 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.8 mt -65.75 -45.22 83.39 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 123.533 0.733 . . . . 0.0 110.347 -177.131 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -72.92 76.39 1.17 Allowed 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.724 1.209 . . . . 0.0 109.635 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.4 -32.48 1.37 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.961 1.304 . . . . 0.0 113.198 172.572 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -67.92 -20.09 65.06 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.986 0.915 . . . . 0.0 113.25 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? 69.27 -53.95 0.58 Allowed 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 128.425 2.69 . . . . 0.0 112.222 -175.402 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -65.3 106.85 1.44 Allowed 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 105.958 -1.867 . . . . 0.0 105.958 166.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -38.42 100.43 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 126.406 1.883 . . . . 0.0 112.617 -176.184 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -145.08 74.46 1.41 Allowed 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 127.069 2.148 . . . . 0.0 106.974 174.667 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.6 t -90.48 114.37 27.94 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 N-CA-C 107.07 -1.455 . . . . 0.0 107.07 -173.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -90.13 165.99 13.66 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 -177.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -52.37 -36.49 53.93 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 121.743 -0.598 . . . . 0.0 112.482 178.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -52.5 -50.34 62.98 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.431 -0.793 . . . . 0.0 110.585 171.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -63.22 -43.7 97.35 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.63 -0.508 . . . . 0.0 109.63 179.478 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -52.52 -46.35 66.67 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.063 0.545 . . . . 0.0 110.779 175.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 22.6 mm -59.47 -50.04 81.37 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 O-C-N 121.719 -0.613 . . . . 0.0 110.735 177.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.9 p -61.18 -32.16 71.91 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 120.734 -1.228 . . . . 0.0 111.492 174.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.22 -43.3 98.5 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 175.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.58 -53.71 50.97 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 172.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -43.4 -55.51 5.15 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 123.813 0.72 . . . . 0.0 111.576 174.279 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.36 -53.43 55.04 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.416 0.686 . . . . 0.0 112.232 -178.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 53.7 mt -55.9 -38.51 70.3 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 124.49 1.116 . . . . 0.0 110.749 -178.477 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.65 -54.74 17.15 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 171.175 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 56.2 ttp -52.9 -40.19 63.32 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.404 1.082 . . . . 0.0 112.535 -173.697 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 40.2 pt -57.43 -28.61 31.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 CA-C-N 118.57 0.623 . . . . 0.0 111.871 177.465 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -75.54 66.13 1.87 Allowed 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 168.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -74.31 172.93 10.96 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 127.034 2.134 . . . . 0.0 111.817 -168.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 68.0 -65.41 0.25 Allowed 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 126.328 1.851 . . . . 0.0 110.533 -174.314 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -41.44 -50.78 3.87 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 125.841 1.657 . . . . 0.0 112.398 -176.618 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.531 0.24 0 C-N-CA 122.941 0.496 . . . . 0.0 110.777 173.652 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 N--CA 1.45 -0.45 0 CA-C-O 117.998 -1.001 . . . . 0.0 109.023 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_exo -37.09 -54.77 1.01 Allowed 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 124.944 3.763 . . . . 0.0 115.457 -170.638 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.88 -51.08 68.81 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 122.143 -0.348 . . . . 0.0 110.4 178.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -65.97 -40.63 91.41 Favored 'General case' 0 N--CA 1.455 -0.211 0 O-C-N 121.901 -0.499 . . . . 0.0 111.012 -178.404 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.32 -43.94 79.47 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 173.457 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.2 -47.23 68.47 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 122.587 0.355 . . . . 0.0 110.397 -176.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 18.2 mm -52.45 -51.89 30.03 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 171.434 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.51 -52.7 27.76 Favored Glycine 0 CA--C 1.528 0.889 0 C-N-CA 124.616 1.103 . . . . 0.0 111.438 178.259 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.8 tp -57.49 -53.19 61.0 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 122.416 -0.461 . . . . 0.0 110.142 178.232 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 55.4 tp -55.22 -60.3 3.58 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.974 0.909 . . . . 0.0 111.035 -177.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.1 pp -64.2 -39.25 84.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 C-N-CA 123.016 0.526 . . . . 0.0 110.339 -176.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.01 -56.13 27.06 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 178.262 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 15.0 mm -64.98 -41.75 92.93 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 O-C-N 121.84 -0.8 . . . . 0.0 109.799 -178.386 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -52.95 -51.74 60.41 Favored 'General case' 0 CA--C 1.528 0.099 0 O-C-N 122.023 -0.423 . . . . 0.0 110.705 174.106 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.98 -38.66 79.63 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 123.843 0.857 . . . . 0.0 110.124 175.808 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -60.0 -47.47 85.69 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 118.484 0.584 . . . . 0.0 109.752 -176.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -64.2 -66.81 0.49 Allowed 'General case' 0 C--O 1.226 -0.178 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 170.028 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 19.0 m -55.51 -16.43 3.84 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 -169.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.75 -25.9 31.1 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 124.927 1.251 . . . . 0.0 113.876 178.168 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -71.57 94.16 1.29 Allowed 'General case' 0 C--N 1.342 0.261 0 CA-C-N 119.936 1.868 . . . . 0.0 108.78 177.626 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 76.92 -44.29 0.46 Allowed 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 127.027 2.131 . . . . 0.0 111.293 179.126 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.35 150.63 20.05 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.106 -1.198 . . . . 0.0 110.106 169.11 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -82.04 39.7 0.58 Allowed 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.363 -1.08 . . . . 0.0 111.913 -173.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt 71.06 -49.87 0.68 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.186 1.794 . . . . 0.0 113.536 174.413 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 48.6 t60 -79.34 -7.95 58.71 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.347 1.459 . . . . 0.0 112.482 -178.198 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 6.7 t -132.72 133.27 43.28 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 118.907 0.776 . . . . 0.0 110.909 -174.491 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 27.2 tp -94.41 102.19 14.16 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 105.818 -1.919 . . . . 0.0 105.818 170.507 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 93.8 p -123.13 172.6 8.45 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.856 1.262 . . . . 0.0 111.422 -169.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.9 tttm -28.53 -58.08 0.13 Allowed 'General case' 0 C--O 1.225 -0.219 0 C-N-CA 128.445 2.698 . . . . 0.0 114.833 -169.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -63.74 -50.2 70.03 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.535 0.683 . . . . 0.0 110.052 -172.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -59.14 -46.61 87.9 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.069 0.948 . . . . 0.0 109.832 178.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 89.3 mt -56.9 -49.98 73.92 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 119.052 -0.499 . . . . 0.0 110.599 176.195 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm -55.29 -51.2 67.46 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 118.612 0.642 . . . . 0.0 110.179 177.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -51.52 -58.11 7.21 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.475 0.58 . . . . 0.0 110.705 176.406 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 38.3 tp -51.21 -65.82 0.49 Allowed 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.65 0.38 . . . . 0.0 110.693 179.041 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 2.2 pp -59.76 -41.36 85.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 CA-C-O 119.047 -0.501 . . . . 0.0 111.289 -171.625 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -58.48 -46.25 87.02 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 119.305 0.957 . . . . 0.0 110.38 176.702 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.534 0.349 0 C-N-CA 120.109 -0.636 . . . . 0.0 110.457 179.045 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 49.4 tp . . . . . 0 CA--C 1.53 0.181 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 25.7 ttt -54.78 -49.09 71.77 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 122.993 0.517 . . . . 0.0 110.071 -179.223 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -57.62 -55.07 39.59 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 122.32 0.248 . . . . 0.0 110.706 176.355 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -53.12 -40.91 64.54 Favored 'General case' 0 CA--C 1.527 0.095 0 C-N-CA 125.166 1.386 . . . . 0.0 111.689 -177.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 78.5 mt -65.61 -61.36 2.13 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 171.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -48.55 -50.96 29.93 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.919 0.887 . . . . 0.0 112.445 -173.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -11.77 3.74 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -177.641 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -54.75 -39.17 68.04 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-N 118.97 0.805 . . . . 0.0 110.953 168.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -165.39 -63.02 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 121.964 0.888 . . . . 0.0 108.971 -170.453 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -176.32 -178.76 0.99 Allowed 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 129.345 3.058 . . . . 0.0 104.208 -174.511 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.37 54.16 0.42 Allowed 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 118.906 0.776 . . . . 0.0 110.379 169.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -147.57 70.64 1.17 Allowed 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 127.331 2.252 . . . . 0.0 107.203 -179.149 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 55.0 t -92.44 126.27 44.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 N-CA-C 106.795 -1.558 . . . . 0.0 106.795 -170.046 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -93.68 154.84 17.59 Favored 'General case' 0 N--CA 1.462 0.155 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 -177.444 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -47.78 -48.73 30.12 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.53 0.732 . . . . 0.0 112.806 -173.466 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -48.96 -47.54 43.8 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.635 -0.666 . . . . 0.0 111.699 173.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -66.53 -39.96 88.87 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -56.58 -49.68 74.18 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 119.05 -0.5 . . . . 0.0 111.304 174.233 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.46 -42.99 97.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-N 119.62 1.1 . . . . 0.0 110.293 177.472 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 17.7 m -58.3 -42.72 87.29 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.217 179.169 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -57.96 -50.45 73.34 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.1 1.36 . . . . 0.0 110.927 173.119 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 3.4 tt -50.95 -53.16 35.35 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 176.55 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -52.31 -53.18 32.64 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 124.125 0.869 . . . . 0.0 111.389 175.047 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.36 -42.24 70.08 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 124.183 0.993 . . . . 0.0 111.6 -178.014 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 53.3 mt -68.57 -62.13 1.53 Allowed 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 120.591 -0.443 . . . . 0.0 110.428 172.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.74 -40.42 69.29 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.193 0.597 . . . . 0.0 112.313 -169.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 4.2 ppp? -58.95 -24.06 62.18 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 118.521 -0.752 . . . . 0.0 112.553 -178.65 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 95.7 mt -51.48 -37.18 18.78 Favored 'Isoleucine or valine' 0 C--N 1.342 0.254 0 CA-C-N 119.253 0.933 . . . . 0.0 109.264 173.618 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -93.02 -54.36 3.76 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.762 0.825 . . . . 0.0 108.806 176.456 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.18 -24.55 64.86 Favored 'General case' 0 C--N 1.34 0.167 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -169.674 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -47.14 -36.06 8.0 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 123.514 0.725 . . . . 0.0 111.659 173.149 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -44.96 -42.97 8.68 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.282 0.633 . . . . 0.0 111.204 173.388 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 1.9 mp . . . . . 0 CA--C 1.534 0.328 0 C-N-CA 124.071 0.949 . . . . 0.0 111.38 176.37 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.535 0.377 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -54.52 -54.78 4.04 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 122.191 1.927 . . . . 0.0 111.921 173.689 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 60.0 tp -60.8 -44.32 96.99 Favored 'General case' 0 C--O 1.224 -0.262 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 178.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -57.79 -47.16 83.35 Favored 'General case' 0 N--CA 1.455 -0.18 0 O-C-N 122.342 -0.224 . . . . 0.0 110.664 -177.554 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -59.5 -41.78 90.68 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 119.693 -0.194 . . . . 0.0 110.688 173.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.24 -51.52 67.41 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.199 0.454 . . . . 0.0 110.434 -178.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 20.2 mm -53.09 -53.29 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 124.33 1.052 . . . . 0.0 109.009 174.323 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.05 -51.37 25.29 Favored Glycine 0 CA--C 1.526 0.775 0 C-N-CA 123.941 0.781 . . . . 0.0 111.392 178.307 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.8 tt -59.42 -56.98 15.1 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.501 0.72 . . . . 0.0 109.981 178.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 54.9 mt -57.53 -49.14 77.32 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 123.445 0.698 . . . . 0.0 111.528 -174.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.5 mm -56.16 -55.85 16.32 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.29 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 173.39 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.91 -58.85 8.02 Favored Glycine 0 CA--C 1.525 0.678 0 C-N-CA 124.242 0.925 . . . . 0.0 111.712 -176.694 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.4 tt -59.93 -51.05 77.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 CA-C-N 117.487 0.644 . . . . 0.0 110.121 -178.254 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -57.83 -38.37 75.48 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.996 0.903 . . . . 0.0 111.125 -178.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -62.57 -33.93 75.94 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 124.035 0.934 . . . . 0.0 111.707 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.13 -50.44 72.81 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 119.876 1.216 . . . . 0.0 109.963 177.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -67.92 -43.89 78.14 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.195 -178.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.7 m -52.82 -47.47 67.66 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.215 0.531 . . . . 0.0 111.324 173.714 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.81 -43.15 99.62 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 126.261 1.886 . . . . 0.0 112.635 -170.317 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -77.28 47.0 0.53 Allowed 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 118.548 1.174 . . . . 0.0 112.716 -177.073 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -179.05 -41.14 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 129.445 3.098 . . . . 0.0 106.133 177.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.14 -63.31 4.34 Favored Glycine 0 C--N 1.338 0.676 0 C-N-CA 124.158 0.885 . . . . 0.0 111.185 169.319 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -76.74 63.73 2.21 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.398 0.679 . . . . 0.0 111.275 -173.711 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -150.52 -131.33 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.015 0.926 . . . . 0.0 110.148 169.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 35.6 p-80 151.23 -21.6 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 130.254 3.422 . . . . 0.0 108.53 -171.628 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 36.2 p -92.67 171.89 8.71 Favored 'General case' 0 N--CA 1.437 -1.076 0 N-CA-C 103.962 -2.607 . . . . 0.0 103.962 166.049 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.9 mt -99.29 145.31 27.44 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 107.243 -1.392 . . . . 0.0 107.243 168.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.9 p -99.65 158.99 15.37 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.87 0.868 . . . . 0.0 109.15 174.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -48.5 -37.74 18.34 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.01 0.524 . . . . 0.0 110.938 172.563 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -50.99 -46.23 61.33 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.765 0.826 . . . . 0.0 111.271 174.305 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -63.09 -43.46 98.44 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 118.069 0.395 . . . . 0.0 110.732 179.154 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.9 mt -59.97 -48.95 79.59 Favored 'General case' 0 C--O 1.225 -0.219 0 C-N-CA 120.314 -0.554 . . . . 0.0 109.896 177.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -58.58 -42.99 89.31 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 122.678 0.391 . . . . 0.0 110.504 179.05 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -57.29 -54.07 50.91 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.29 0.636 . . . . 0.0 109.923 174.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.3 tp -57.49 -51.49 69.24 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.018 0.527 . . . . 0.0 111.069 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.5 mp -52.17 -48.17 43.16 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 O-C-N 122.0 -0.437 . . . . 0.0 110.286 176.296 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -60.59 -39.42 88.02 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.925 0.784 . . . . 0.0 111.916 176.038 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -59.63 -48.59 81.08 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.359 0.663 . . . . 0.0 110.773 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 . . . . . 0 C--O 1.237 0.421 0 CA-C-O 120.871 0.367 . . . . 0.0 111.245 172.258 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 . . . . . 0 N--CA 1.452 -0.37 0 CA-C-O 119.059 -0.496 . . . . 0.0 109.817 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.0 mt -73.47 -33.34 39.58 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 C-N-CA 119.484 -0.887 . . . . 0.0 112.37 -171.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 65.1 t -65.72 -49.69 75.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 O-C-N 121.317 -0.864 . . . . 0.0 108.909 174.585 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -54.29 -48.46 71.24 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 174.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.3 tt -52.5 -60.99 2.57 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.282 0.633 . . . . 0.0 109.835 177.128 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -50.73 -56.96 9.58 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -178.389 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -49.8 -62.1 1.75 Allowed 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 122.654 0.381 . . . . 0.0 111.301 -178.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -68.71 -43.56 75.76 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -170.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 61.0 tp -64.19 -48.07 77.33 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.497 0.719 . . . . 0.0 110.347 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -72.91 -60.75 2.08 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 122.742 0.417 . . . . 0.0 110.031 -175.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.7 tpp180 59.86 -67.34 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.111 1.765 . . . . 0.0 112.327 -169.544 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -143.33 7.34 1.54 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.486 1.114 . . . . 0.0 112.31 171.157 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -76.61 46.76 0.46 Allowed 'General case' 0 CA--C 1.534 0.348 0 O-C-N 120.321 -1.487 . . . . 0.0 110.987 176.673 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -77.97 40.0 0.31 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.358 1.063 . . . . 0.0 110.645 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -134.06 -72.64 0.49 Allowed 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 125.861 1.664 . . . . 0.0 106.672 -174.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -140.27 144.01 36.22 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 125.963 1.705 . . . . 0.0 107.498 168.603 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 71.6 t -111.34 136.74 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 126.02 1.728 . . . . 0.0 106.634 172.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -92.54 142.7 27.11 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -173.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -48.53 -39.78 24.57 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.998 -0.439 . . . . 0.0 111.262 171.099 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -50.15 -43.88 52.28 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.609 -0.682 . . . . 0.0 111.371 172.507 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -69.81 -39.89 76.25 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 118.717 -0.659 . . . . 0.0 110.247 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -55.1 -48.76 73.14 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.082 0.856 . . . . 0.0 110.437 173.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 32.0 mm -59.06 -56.67 15.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 O-C-N 121.904 -0.497 . . . . 0.0 110.752 175.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 29.1 m -57.42 -38.72 74.8 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 121.812 -0.555 . . . . 0.0 110.401 -176.66 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -57.26 -45.51 83.95 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.422 1.489 . . . . 0.0 111.034 173.645 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.4 tt -54.55 -51.8 64.08 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 174.644 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.59 -53.32 17.24 Favored Glycine 0 CA--C 1.53 0.976 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.814 174.555 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.16 -53.5 57.35 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.154 0.982 . . . . 0.0 110.938 -178.151 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.7 mp -55.1 -51.01 67.73 Favored 'General case' 0 CA--C 1.527 0.083 0 O-C-N 122.093 -0.379 . . . . 0.0 110.398 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.31 -47.72 80.79 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 121.19 -0.204 . . . . 0.0 111.321 178.432 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 28.1 ttt -57.52 -42.31 82.56 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.827 0.851 . . . . 0.0 111.282 178.708 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 15.8 mm -66.94 -44.84 88.41 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 124.064 0.946 . . . . 0.0 110.4 177.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.9 m-30 -55.33 -44.61 76.05 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 174.146 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 67.01 -68.05 0.15 Allowed 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 126.457 1.903 . . . . 0.0 114.166 167.543 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -58.12 -50.88 71.93 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.539 0.736 . . . . 0.0 109.067 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.85 -52.1 63.86 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.16 176.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 33.9 tp . . . . . 0 N--CA 1.456 -0.129 0 C-N-CA 123.069 0.547 . . . . 0.0 110.066 178.532 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 7.0 p . . . . . 0 N--CA 1.449 -0.497 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -74.91 71.35 4.96 Favored 'Trans proline' 0 N--CA 1.454 -0.794 0 C-N-CA 123.118 2.545 . . . . 0.0 109.288 178.078 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 14.2 tp -57.69 -32.95 67.85 Favored 'General case' 0 N--CA 1.454 -0.239 0 O-C-N 121.697 -0.627 . . . . 0.0 110.171 -177.464 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -53.0 -45.94 68.13 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.815 -0.553 . . . . 0.0 112.42 170.331 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.16 -37.82 86.58 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 176.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.63 -50.74 71.32 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 121.323 0.582 . . . . 0.0 110.198 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 68.5 mt -55.3 -47.47 77.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 124.571 1.148 . . . . 0.0 108.687 174.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.64 -48.93 35.02 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 123.88 0.753 . . . . 0.0 111.955 173.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.54 -52.41 65.67 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.529 0.732 . . . . 0.0 109.807 179.018 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -55.5 -52.07 64.91 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.909 0.884 . . . . 0.0 110.378 -179.35 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 24.1 mt -49.64 -51.8 14.3 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 C-N-CA 125.03 1.332 . . . . 0.0 109.822 172.317 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -47.48 -64.69 2.72 Favored Glycine 0 CA--C 1.523 0.563 0 C-N-CA 124.565 1.079 . . . . 0.0 110.849 178.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 6.6 tp -58.34 -48.31 85.36 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 CA-C-N 117.311 0.556 . . . . 0.0 110.609 -178.665 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -47.53 -55.21 9.63 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 122.723 0.409 . . . . 0.0 111.107 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . 0.276 1.0 OUTLIER -80.23 -1.26 39.83 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -174.691 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt -66.72 -53.41 33.74 Favored 'General case' 0 C--N 1.34 0.177 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 167.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -66.11 -47.76 73.12 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.456 172.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 2.0 m -99.75 43.17 1.07 Allowed 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.078 0.951 . . . . 0.0 111.879 -169.166 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -179.82 -61.59 0.08 OUTLIER Glycine 0 C--N 1.333 0.393 0 O-C-N 121.086 -1.009 . . . . 0.0 111.403 179.358 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -73.33 71.71 1.26 Allowed 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 177.136 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 63.74 -155.59 0.32 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.952 1.301 . . . . 0.0 108.23 -168.498 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.94 -78.81 0.5 Allowed Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -176.356 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -152.23 163.88 38.52 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.48 1.112 . . . . 0.0 108.56 177.329 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -99.73 97.17 8.14 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.048 0.939 . . . . 0.0 111.033 -168.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 61.18 9.25 2.37 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.92 1.288 . . . . 0.0 113.178 170.619 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 33.1 p -145.8 154.16 41.72 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 129.572 3.149 . . . . 0.0 102.831 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 60.9 tp -101.34 145.19 29.23 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 -172.259 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 21.8 p -92.94 152.45 19.35 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -53.63 -39.35 64.9 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 168.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -49.55 -63.41 1.11 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.136 0.574 . . . . 0.0 111.566 173.562 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.33 -33.41 71.46 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 121.661 -0.649 . . . . 0.0 111.137 -173.49 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 42.2 tp -58.38 -50.19 74.55 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.925 -0.484 . . . . 0.0 109.858 172.673 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -59.94 -40.26 88.37 Favored 'General case' 0 N--CA 1.456 -0.173 0 O-C-N 121.791 -0.568 . . . . 0.0 110.758 175.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -54.83 -57.45 11.52 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.987 0.812 . . . . 0.0 109.321 175.38 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 62.6 tp -52.31 -55.59 20.45 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.271 0.628 . . . . 0.0 110.231 178.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 73.0 mt -54.12 -50.77 52.58 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.132 0 C-N-CA 123.015 0.526 . . . . 0.0 110.068 -178.331 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -55.21 -46.02 75.89 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 119.157 -0.449 . . . . 0.0 110.614 178.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 5.0 mmtm . . . . . 0 CA--C 1.53 0.183 0 CA-C-N 118.699 0.681 . . . . 0.0 111.105 175.986 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 62.8 tp . . . . . 0 N--CA 1.455 -0.192 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 85.7 mmm -52.32 -52.86 50.74 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.604 0.762 . . . . 0.0 110.15 178.096 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -54.49 -55.19 31.62 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 122.352 0.261 . . . . 0.0 110.483 178.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -53.07 -52.92 57.0 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.434 0.693 . . . . 0.0 111.083 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 97.0 mt -58.66 -39.3 80.23 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 122.669 0.387 . . . . 0.0 111.091 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -75.53 50.67 0.55 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.26 0.624 . . . . 0.0 112.682 -175.66 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -60.76 -30.51 70.06 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 121.14 -0.975 . . . . 0.0 109.014 168.723 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -50.24 -29.46 9.56 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.868 1.667 . . . . 0.0 112.799 169.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt 50.34 51.03 17.59 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.864 1.266 . . . . 0.0 111.055 -176.652 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -156.38 147.19 21.9 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 -177.136 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.05 -38.32 70.46 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.971 0.908 . . . . 0.0 110.863 176.263 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -93.05 104.1 16.34 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 174.468 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 27.8 m -93.06 146.18 6.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -87.83 159.46 18.4 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 121.541 -0.725 . . . . 0.0 110.051 -168.351 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -44.65 -41.69 6.88 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.934 1.294 . . . . 0.0 112.401 178.691 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 63.7 tp60 -53.87 -41.49 67.59 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.704 0.684 . . . . 0.0 111.368 175.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -63.47 -43.54 97.03 Favored 'General case' 0 N--CA 1.455 -0.222 0 O-C-N 121.505 -0.747 . . . . 0.0 109.211 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -58.98 -46.97 86.81 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 122.458 0.303 . . . . 0.0 110.846 174.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 13.7 mm -58.08 -46.98 88.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 O-C-N 121.555 -0.715 . . . . 0.0 110.444 176.243 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 13.2 m -59.76 -40.95 89.91 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.442 -0.787 . . . . 0.0 109.685 177.473 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -60.7 -41.42 95.17 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 119.114 -0.47 . . . . 0.0 111.046 173.553 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.9 tt -54.64 -50.24 68.62 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 173.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -49.87 -56.66 11.29 Favored Glycine 0 CA--C 1.526 0.78 0 C-N-CA 123.323 0.487 . . . . 0.0 112.126 174.4 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.71 -54.82 39.63 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 117.721 0.76 . . . . 0.0 110.914 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 49.7 tp -52.43 -47.95 66.04 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.682 1.193 . . . . 0.0 110.272 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.13 -49.86 76.27 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 122.179 -0.325 . . . . 0.0 110.886 175.029 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 91.0 mmm -61.61 -26.03 67.72 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.339 0.656 . . . . 0.0 112.677 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 87.0 mt -52.17 -37.28 22.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 CA-C-N 120.05 1.295 . . . . 0.0 109.336 169.204 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -91.48 26.2 2.37 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.847 0.859 . . . . 0.0 111.86 178.303 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -45.3 -40.15 7.37 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 124.46 1.104 . . . . 0.0 112.076 177.311 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -55.63 -47.91 75.82 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.149 0.58 . . . . 0.0 110.873 177.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.37 -45.44 46.95 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.192 0.597 . . . . 0.0 110.064 -178.227 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 6.4 tt . . . . . 0 CA--C 1.53 0.176 0 C-N-CA 124.689 1.196 . . . . 0.0 109.508 175.865 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.8 ptt? . . . . . 0 N--CA 1.477 0.89 0 CA-C-O 120.186 0.041 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.84 120.75 6.14 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 109.003 -0.739 . . . . 0.0 109.003 172.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.0 p -169.06 162.22 7.81 Favored Pre-proline 0 N--CA 1.451 -0.382 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -169.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -51.75 -45.64 36.95 Favored 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 122.773 2.315 . . . . 0.0 111.224 168.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 60.9 tp -51.73 -58.78 5.41 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 123.484 0.713 . . . . 0.0 110.168 174.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -57.44 -46.97 82.99 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 111.477 0.177 . . . . 0.0 111.477 -177.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -54.63 -45.43 73.72 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 122.757 0.423 . . . . 0.0 110.248 175.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.88 -56.39 12.07 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 -174.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 18.4 pt -60.96 -41.05 87.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.35 -57.01 16.74 Favored Glycine 0 CA--C 1.526 0.733 0 C-N-CA 124.251 0.929 . . . . 0.0 111.068 176.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.7 mt -52.89 -48.81 66.89 Favored 'General case' 0 C--O 1.227 -0.126 0 CA-C-N 117.074 0.437 . . . . 0.0 110.206 175.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.0 tt -60.1 -57.38 13.07 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 120.515 0.198 . . . . 0.0 111.437 -175.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.8 pt -64.78 -38.24 82.21 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 O-C-N 121.527 -0.733 . . . . 0.0 110.612 -178.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.73 -58.85 12.11 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 111.059 -0.817 . . . . 0.0 111.059 177.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -59.51 -40.45 81.9 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 O-C-N 122.014 -0.698 . . . . 0.0 109.158 -178.354 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -53.61 -52.73 58.91 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.484 0.584 . . . . 0.0 111.552 171.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -59.43 -33.01 70.73 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 122.965 0.506 . . . . 0.0 111.11 -178.065 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -71.17 -61.52 1.74 Allowed 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 173.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -43.47 -47.08 7.06 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 125.699 1.6 . . . . 0.0 111.602 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.0 m -39.18 -38.48 0.5 Allowed 'General case' 0 C--O 1.238 0.456 0 C-N-CA 126.266 1.826 . . . . 0.0 113.612 176.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -150.18 77.71 0.23 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 109.099 -1.6 . . . . 0.0 109.099 175.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -52.29 -38.64 58.93 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 119.011 1.405 . . . . 0.0 109.977 170.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -47.97 -39.53 19.69 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.678 1.591 . . . . 0.0 113.032 170.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 174.65 117.94 0.49 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 104.645 -3.382 . . . . 0.0 104.645 -173.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -57.68 85.09 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -166.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -65.63 155.51 35.66 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.545 1.138 . . . . 0.0 108.737 168.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -93.59 -8.82 40.1 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.401 0.681 . . . . 0.0 111.697 -178.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.0 p -126.58 158.89 35.07 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 127.422 2.289 . . . . 0.0 105.037 175.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.2 tp -91.44 126.24 36.46 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 122.835 0.454 . . . . 0.0 109.973 -167.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.5 p -93.96 147.29 23.24 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 122.867 0.467 . . . . 0.0 111.785 -175.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -50.33 -40.95 50.42 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 123.2 0.6 . . . . 0.0 111.377 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -46.9 -57.26 5.13 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.156 0.582 . . . . 0.0 110.536 175.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -72.19 -37.24 69.33 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.493 -173.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 67.3 tp -53.38 -49.25 67.59 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 120.893 0.378 . . . . 0.0 110.305 170.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -65.23 -39.76 93.18 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.611 0.765 . . . . 0.0 110.512 -178.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -55.72 -53.2 59.57 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 121.378 -0.826 . . . . 0.0 110.464 170.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 66.2 tp -54.18 -50.7 66.43 Favored 'General case' 0 C--O 1.223 -0.309 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.0 mt -54.52 -54.17 24.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 C-N-CA 122.931 0.492 . . . . 0.0 110.101 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -55.27 -49.81 71.13 Favored 'General case' 0 CA--C 1.531 0.227 0 O-C-N 121.771 -0.581 . . . . 0.0 111.221 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -58.31 -50.87 72.09 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 120.838 0.351 . . . . 0.0 110.447 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -55.21 -39.44 69.66 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 124.686 1.194 . . . . 0.0 110.799 177.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 72.2 mt -63.04 -55.27 27.02 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 118.649 0.658 . . . . 0.0 109.352 176.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 47.4 m 63.59 -69.95 0.07 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.384 1.474 . . . . 0.0 110.315 -169.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.475 ' H ' HD13 ' A' ' 44' ' ' ILE . 0.1 OUTLIER -133.67 16.06 1.36 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 C-N-CA 125.455 1.502 . . . . 0.0 111.482 170.72 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.79 62.17 1.96 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 108.939 -1.664 . . . . 0.0 108.939 -172.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 p -78.1 50.71 0.92 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.604 1.162 . . . . 0.0 112.455 -174.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 42.4 mmtm 39.53 -75.91 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 129.848 3.259 . . . . 0.0 115.516 169.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 63.8 tp -48.97 -46.91 44.33 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 123.573 0.749 . . . . 0.0 109.236 171.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -61.41 -31.55 71.47 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 122.783 0.433 . . . . 0.0 111.592 177.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -71.14 -45.23 63.96 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 120.861 -1.15 . . . . 0.0 110.316 176.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.86 -42.94 69.13 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 121.37 0.605 . . . . 0.0 109.492 171.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -59.29 -39.12 81.96 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.581 0.753 . . . . 0.0 110.41 174.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.4 mt -68.88 -42.06 82.35 Favored 'Isoleucine or valine' 0 C--N 1.341 0.221 0 CA-C-N 119.216 0.916 . . . . 0.0 110.216 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 70.6 t -56.47 -52.66 50.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 175.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -54.18 -56.62 16.44 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 177.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 36.2 tp -47.46 -63.12 1.13 Allowed 'General case' 0 C--O 1.226 -0.17 0 C-N-CA 124.783 1.233 . . . . 0.0 109.326 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 49.3 ttp -55.8 -53.5 55.88 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 123.252 0.621 . . . . 0.0 110.213 -175.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -55.91 -53.91 51.12 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 122.221 0.208 . . . . 0.0 111.167 -178.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -65.85 -45.26 82.87 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 122.206 -0.309 . . . . 0.0 111.041 -175.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.5 tp -77.66 -55.56 5.25 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.832 0.853 . . . . 0.0 111.319 -169.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -84.09 67.63 9.77 Favored 'General case' 0 C--O 1.231 0.108 0 O-C-N 121.798 -0.564 . . . . 0.0 110.619 -169.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -75.08 72.63 2.21 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.273 0.559 . . . . 0.0 109.786 177.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 78.04 -53.87 0.5 Allowed 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 126.938 2.095 . . . . 0.0 109.577 -178.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -58.87 101.21 0.08 Allowed 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 170.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -126.1 -53.82 1.51 Allowed 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 125.053 1.341 . . . . 0.0 110.762 -172.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.444 ' NE2' ' H ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -44.59 -45.52 9.52 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 122.407 1.098 . . . . 0.0 111.423 173.439 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.444 ' H ' ' NE2' ' A' ' 66' ' ' GLN . 32.7 tt0 -142.86 138.7 30.48 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 105.185 -2.154 . . . . 0.0 105.185 169.396 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.1 t -119.44 142.14 36.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 C-N-CA 125.827 1.651 . . . . 0.0 107.794 -173.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -92.99 144.36 25.33 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 121.364 0.602 . . . . 0.0 110.879 -170.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -42.71 -42.81 3.65 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.186 1.394 . . . . 0.0 113.528 176.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -54.73 -43.62 72.82 Favored 'General case' 0 C--O 1.233 0.217 0 O-C-N 121.358 -0.839 . . . . 0.0 111.064 178.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -64.03 -46.04 86.23 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 -178.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -54.06 -46.08 71.87 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 122.773 0.429 . . . . 0.0 111.033 173.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 12.1 mm -58.4 -52.62 57.08 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 118.602 0.637 . . . . 0.0 110.741 177.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.1 p -59.28 -38.29 79.79 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 120.57 -1.331 . . . . 0.0 111.044 177.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -60.79 -38.98 87.16 Favored 'General case' 0 CA--C 1.529 0.172 0 O-C-N 121.96 -0.463 . . . . 0.0 111.31 173.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.2 tt -53.3 -52.65 58.41 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 173.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.51 -57.92 13.96 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 112.093 -0.403 . . . . 0.0 112.093 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.5 -43.72 80.01 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.432 0.693 . . . . 0.0 111.707 -177.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.2 tp -62.73 -58.75 6.38 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.679 0.792 . . . . 0.0 108.891 177.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -52.69 -38.09 60.01 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.476 0.71 . . . . 0.0 111.463 -178.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 46.0 tpp -50.66 -37.22 39.58 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.319 0.509 . . . . 0.0 112.095 175.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 46.5 mm -58.15 -32.77 45.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 O-C-N 121.37 -0.831 . . . . 0.0 110.66 178.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -75.0 7.39 3.27 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.752 0.821 . . . . 0.0 111.192 179.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -5.2 -68.06 0.0 OUTLIER 'General case' 0 C--N 1.345 0.383 0 C-N-CA 129.461 3.105 . . . . 0.0 115.767 175.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -56.12 -51.91 66.24 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 118.846 0.748 . . . . 0.0 110.682 -177.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.76 -38.07 76.63 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.156 0.582 . . . . 0.0 110.081 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 54.1 tp -55.18 -54.46 43.08 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 122.998 0.519 . . . . 0.0 110.972 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.8 pttm -74.02 -45.59 48.81 Favored 'General case' 0 N--CA 1.462 0.125 0 C-N-CA 120.146 -0.622 . . . . 0.0 110.9 176.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.22 0 CA-C-O 117.203 -1.887 . . . . 0.0 110.513 -173.96 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 86.7 mmm . . . . . 0 N--CA 1.475 0.793 0 N-CA-C 110.437 -0.209 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.59 -19.02 64.44 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -41.38 -49.21 9.14 Favored Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 115.468 1.655 . . . . 0.0 115.468 -169.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -59.88 -44.98 26.79 Favored 'Trans proline' 0 CA--C 1.535 0.526 0 C-N-CA 122.089 1.859 . . . . 0.0 111.644 178.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.65 -50.17 72.25 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 179.374 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -57.25 -40.95 78.69 Favored 'General case' 0 C--O 1.224 -0.272 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 177.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.69 -45.14 81.96 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 122.973 0.509 . . . . 0.0 110.117 172.706 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.51 -46.41 86.21 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.942 -0.474 . . . . 0.0 110.744 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 27.3 mm -53.98 -48.52 63.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 172.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.65 -52.67 24.07 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 125.018 1.294 . . . . 0.0 111.114 176.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 80.0 mt -59.15 -48.92 79.82 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 117.751 0.776 . . . . 0.0 111.039 176.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 6.0 tt -55.8 -49.21 73.81 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 118.431 0.559 . . . . 0.0 111.455 -178.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 16.9 mm -54.63 -51.19 53.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 C-N-CA 123.997 0.919 . . . . 0.0 108.794 171.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -41.03 -53.58 3.85 Favored Glycine 0 CA--C 1.526 0.746 0 C-N-CA 126.182 1.848 . . . . 0.0 111.534 174.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 44.5 mm -68.17 -62.99 1.03 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 118.016 0.908 . . . . 0.0 110.33 177.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -51.37 -47.84 62.7 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.439 0.696 . . . . 0.0 112.423 -168.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 11.4 p-80 -62.49 -25.92 68.26 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -172.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -59.95 -40.41 88.88 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 118.831 0.742 . . . . 0.0 109.84 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -73.88 -58.9 2.99 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 174.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.7 t -55.98 -33.29 64.69 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.154 0.582 . . . . 0.0 112.494 -169.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.92 -36.17 55.12 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 121.636 -0.665 . . . . 0.0 112.039 174.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 34.1 mtmm -77.59 66.5 3.32 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.655 -0.909 . . . . 0.0 110.353 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 65.61 22.82 11.71 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 126.421 1.888 . . . . 0.0 113.759 173.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.51 51.93 4.04 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 110.381 -1.088 . . . . 0.0 110.381 171.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -60.09 152.41 24.29 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.487 0.715 . . . . 0.0 110.425 -173.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt 66.56 20.57 10.81 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.954 1.302 . . . . 0.0 111.89 -176.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 9.6 m80 68.24 62.86 0.37 Allowed 'General case' 0 C--O 1.234 0.275 0 C-N-CA 124.73 1.212 . . . . 0.0 109.298 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 35.7 p -130.91 173.14 11.27 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 124.129 0.972 . . . . 0.0 109.39 -176.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 50.8 tp -128.61 102.05 6.43 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 129.434 3.094 . . . . 0.0 105.332 -177.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 94.1 p -92.52 167.15 12.14 Favored 'General case' 0 CA--C 1.529 0.152 0 O-C-N 121.954 -0.466 . . . . 0.0 111.867 -169.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.39 -46.92 13.52 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.758 1.223 . . . . 0.0 111.48 179.004 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -50.92 -57.83 7.54 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.195 0.998 . . . . 0.0 109.739 176.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -59.81 -42.93 94.58 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.924 -176.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 63.0 mt -56.5 -56.6 19.25 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 118.532 -0.747 . . . . 0.0 110.466 175.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -58.82 -38.39 78.52 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.873 1.215 . . . . 0.0 111.288 -176.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -59.54 -53.72 54.79 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 121.51 -0.744 . . . . 0.0 110.846 173.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 68.5 tp -54.08 -52.24 61.59 Favored 'General case' 0 C--O 1.225 -0.222 0 C-N-CA 122.727 0.411 . . . . 0.0 110.339 178.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 9.9 mm -50.52 -52.78 14.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 C-N-CA 124.47 1.108 . . . . 0.0 110.204 177.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -54.39 -50.9 66.45 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.051 0.387 . . . . 0.0 110.862 177.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.51 -42.57 96.69 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.021 0.373 . . . . 0.0 111.863 -179.564 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -60.12 -39.55 86.65 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.04 0.536 . . . . 0.0 111.101 173.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 35.0 tp -72.93 73.14 1.13 Allowed 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.598 -0.689 . . . . 0.0 110.275 -176.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 15.3 t -146.45 -153.93 0.52 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.864 1.266 . . . . 0.0 109.773 -178.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 7.0 tp -70.06 65.62 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 126.981 2.112 . . . . 0.0 113.182 -172.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -170.36 39.33 0.19 Allowed Glycine 0 CA--C 1.526 0.766 0 N-CA-C 107.795 -2.122 . . . . 0.0 107.795 169.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.61 47.96 0.18 Allowed 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 129.245 3.018 . . . . 0.0 114.641 -165.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -149.0 -71.86 0.19 Allowed 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 106.012 -1.848 . . . . 0.0 106.012 169.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.23 -53.68 55.32 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 123.433 0.693 . . . . 0.0 109.788 176.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 15.8 tp60 -64.34 -31.48 72.71 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 122.094 -0.379 . . . . 0.0 110.453 -175.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -75.02 -42.21 57.79 Favored 'General case' 0 N--CA 1.456 -0.142 0 O-C-N 121.868 -0.52 . . . . 0.0 111.175 178.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.13 -44.19 67.54 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 170.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -61.92 -38.55 88.84 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 117.915 -1.041 . . . . 0.0 111.582 173.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 42.7 mt -58.12 -49.88 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-N 120.767 1.621 . . . . 0.0 109.583 174.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 92.4 t -58.14 -52.1 62.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -57.68 -48.49 79.37 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 122.69 0.396 . . . . 0.0 110.825 -179.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 11.8 tp -53.02 -61.13 2.49 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.461 1.105 . . . . 0.0 109.122 176.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -50.69 -55.38 16.84 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.07 0.548 . . . . 0.0 109.556 -176.67 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -54.96 -60.15 3.77 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 122.257 0.223 . . . . 0.0 111.184 179.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -56.27 -43.6 78.93 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 123.829 0.852 . . . . 0.0 111.437 -172.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 11.1 mp -76.31 -41.57 48.12 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 119.605 -0.236 . . . . 0.0 111.051 -178.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -78.26 60.15 2.45 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -171.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -80.74 64.18 5.42 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 105.013 -2.218 . . . . 0.0 105.013 165.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 69.67 -41.24 0.48 Allowed 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.817 2.047 . . . . 0.0 113.016 -173.353 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -70.45 23.7 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 -169.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -48.54 -32.36 7.89 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 120.105 1.32 . . . . 0.0 112.575 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' GLN . . . . . 0.412 ' NE2' ' H ' ' B' ' 66' ' ' GLN . 4.1 mp0 -58.3 -47.51 83.44 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 125.266 1.427 . . . . 0.0 111.074 179.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -146.62 93.6 2.31 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 126.015 1.726 . . . . 0.0 108.53 -178.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 90.9 t -92.08 141.96 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 N-CA-C 106.061 -1.829 . . . . 0.0 106.061 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -91.35 147.03 23.32 Favored 'General case' 0 C--N 1.332 -0.174 0 O-C-N 120.952 -1.092 . . . . 0.0 109.712 -171.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -42.12 -45.11 3.89 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 174.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -57.36 -33.54 67.89 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.153 -0.967 . . . . 0.0 111.959 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -71.34 -40.36 70.77 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 121.512 -0.743 . . . . 0.0 109.969 176.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -57.11 -45.92 83.04 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.857 -0.527 . . . . 0.0 110.41 171.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 22.8 mm -57.21 -48.43 82.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 O-C-N 121.29 -0.881 . . . . 0.0 110.697 172.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 29.4 m -55.94 -39.83 72.29 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 121.798 -0.564 . . . . 0.0 110.443 176.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -60.88 -42.81 98.68 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.325 0.65 . . . . 0.0 111.44 174.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 tt -53.06 -48.53 67.62 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 172.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.56 -57.65 8.17 Favored Glycine 0 CA--C 1.531 1.067 0 N-CA-C 111.471 -0.651 . . . . 0.0 111.471 170.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.04 -41.67 71.69 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 125.333 1.453 . . . . 0.0 112.04 -176.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 78.4 mt -56.62 -59.23 5.3 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 173.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.86 -39.93 75.22 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.997 -0.44 . . . . 0.0 111.374 -179.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 47.4 mtt -56.93 -14.01 3.17 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -178.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 2.0 pp -57.42 -18.95 9.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 CA-C-N 119.832 1.196 . . . . 0.0 112.065 169.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 12.8 m-30 -63.73 78.25 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.834 0.743 . . . . 0.0 109.877 169.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.92 151.88 6.21 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 124.341 1.056 . . . . 0.0 112.438 -176.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 66.57 -68.39 0.14 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 125.659 1.584 . . . . 0.0 110.091 -171.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -46.59 -50.01 18.07 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.901 1.281 . . . . 0.0 111.609 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 97.4 mt -119.09 38.67 3.76 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.263 1.025 . . . . 0.0 109.709 173.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 22.8 mtmm 69.55 -68.13 0.2 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.401 1.48 . . . . 0.0 110.919 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.241 0 CA-C-O 117.327 -1.818 . . . . 0.0 110.446 -172.874 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 82.2 mtp . . . . . 0 N--CA 1.476 0.83 0 CA-C-O 120.633 0.254 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.4 73.18 0.99 Allowed 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.663 0.785 . . . . 0.0 110.205 -178.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -32.99 -57.41 0.51 Allowed Pre-proline 0 CA--C 1.54 0.567 0 C-N-CA 126.519 1.928 . . . . 0.0 115.267 -175.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -55.2 -50.64 12.37 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 122.265 1.977 . . . . 0.0 112.6 177.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.8 mp -60.66 -42.81 97.77 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -60.15 -54.63 43.54 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 122.398 0.279 . . . . 0.0 110.804 -177.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -63.83 -33.21 75.16 Favored 'General case' 0 CA--C 1.531 0.212 0 O-C-N 122.072 -0.392 . . . . 0.0 110.723 178.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.4 -51.91 63.83 Favored 'General case' 0 C--N 1.34 0.162 0 CA-C-N 118.398 0.545 . . . . 0.0 109.75 178.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.2 mm -49.67 -59.02 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.339 0.152 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 172.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.52 -54.97 9.82 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.649 -0.58 . . . . 0.0 111.649 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.26 -57.81 10.04 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.532 0.733 . . . . 0.0 110.197 -176.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 55.8 mt -61.68 -49.42 76.57 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 123.117 0.567 . . . . 0.0 111.066 -173.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.2 mp -70.37 -33.91 55.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -178.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.11 -54.39 31.89 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 170.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.9 mt -52.57 -51.86 31.14 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 117.532 0.666 . . . . 0.0 109.51 175.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -51.09 -46.3 61.76 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 121.205 0.526 . . . . 0.0 110.885 176.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 54.6 m80 -70.25 -10.94 60.41 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -57.15 -38.96 74.3 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 120.698 1.59 . . . . 0.0 108.098 167.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -81.63 -70.07 0.57 Allowed 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.154 0.982 . . . . 0.0 110.421 170.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.8 m -68.2 -5.95 20.86 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 -168.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.06 -36.38 93.38 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.366 -1.094 . . . . 0.0 110.366 169.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -63.0 -50.42 70.82 Favored 'General case' 0 C--N 1.341 0.209 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 172.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -81.03 54.2 2.16 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 122.78 0.432 . . . . 0.0 110.902 178.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.79 158.79 23.59 Favored Glycine 0 CA--C 1.531 1.078 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 175.03 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . 0.29 0.7 OUTLIER 68.69 -44.3 0.52 Allowed 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 126.56 1.944 . . . . 0.0 113.124 -175.74 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -71.49 -50.74 28.55 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 171.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 53.85 53.06 11.87 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.097 1.359 . . . . 0.0 110.65 -176.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.9 p -134.68 172.91 12.28 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 127.621 2.369 . . . . 0.0 105.985 174.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.6 tt -124.44 105.7 9.62 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.757 1.223 . . . . 0.0 108.136 -171.043 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.8 p -92.79 167.83 11.6 Favored 'General case' 0 N--CA 1.462 0.174 0 O-C-N 120.861 -1.149 . . . . 0.0 111.39 -173.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.7 pttt -33.46 -40.05 0.06 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.616 1.966 . . . . 0.0 114.714 172.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -61.8 -56.75 16.2 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.855 0.836 . . . . 0.0 110.279 177.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.4 mp0 -62.16 -39.6 93.17 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 124.215 1.006 . . . . 0.0 110.204 178.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.0 tp -58.27 -52.91 63.6 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 176.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -53.73 -49.09 68.9 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 177.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 54.1 tt0 -51.98 -56.62 13.11 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 122.644 0.378 . . . . 0.0 110.886 177.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 49.3 tp -55.29 -59.23 5.08 Favored 'General case' 0 N--CA 1.458 -0.049 0 C-N-CA 123.768 0.827 . . . . 0.0 110.301 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 33.9 mm -53.37 -51.66 38.98 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 C-N-CA 123.766 0.826 . . . . 0.0 109.265 -177.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -52.08 -50.0 62.45 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.453 0.701 . . . . 0.0 110.609 177.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -59.77 -46.13 90.13 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 117.845 0.293 . . . . 0.0 111.349 178.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -64.08 -32.61 74.23 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 178.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.88 67.3 2.25 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.292 1.037 . . . . 0.0 110.098 -173.784 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.0 t -77.99 -161.89 0.29 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.864 0.865 . . . . 0.0 108.972 169.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.5 pt -75.38 47.3 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 O-C-N 121.278 -0.888 . . . . 0.0 111.27 177.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.58 50.16 4.18 Favored Glycine 0 CA--C 1.527 0.797 0 O-C-N 120.816 -1.178 . . . . 0.0 111.236 -176.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.3 p -56.04 -52.79 62.98 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 124.603 1.161 . . . . 0.0 109.524 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.88 76.06 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.152 1.381 . . . . 0.0 111.138 172.132 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.1 mt 74.65 -50.11 0.67 Allowed 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 126.835 2.054 . . . . 0.0 113.874 169.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -42.9 -48.19 5.78 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -170.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -64.1 -39.03 93.16 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 120.814 -1.179 . . . . 0.0 111.807 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.6 -39.28 87.57 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 173.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -61.92 -35.27 77.88 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 118.886 -0.578 . . . . 0.0 111.107 171.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.5 mm -66.4 -42.99 91.38 Favored 'Isoleucine or valine' 0 C--N 1.343 0.313 0 CA-C-N 119.854 1.207 . . . . 0.0 109.998 175.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 92.7 t -58.12 -46.68 88.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 O-C-N 121.493 -0.754 . . . . 0.0 109.981 173.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -56.39 -46.27 80.2 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.912 -0.493 . . . . 0.0 110.448 176.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.1 tp -57.58 -50.43 73.14 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 122.864 0.466 . . . . 0.0 110.171 176.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.1 ttt -52.68 -50.0 64.15 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 122.881 0.473 . . . . 0.0 110.145 178.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -57.85 -53.47 57.9 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 122.648 0.379 . . . . 0.0 111.082 176.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -51.12 -47.54 61.95 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 123.816 0.846 . . . . 0.0 111.005 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.97 -58.55 6.4 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 176.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -68.74 -15.41 63.5 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -169.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 32.3 ptt-85 -18.12 -58.18 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 128.013 2.525 . . . . 0.0 116.284 -172.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -85.24 44.12 1.06 Allowed 'General case' 0 CA--C 1.535 0.401 0 O-C-N 120.916 -1.115 . . . . 0.0 110.061 -174.382 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 74.7 tttt 43.3 32.74 0.51 Allowed 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.588 1.555 . . . . 0.0 110.966 -168.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -84.0 72.3 10.46 Favored 'General case' 0 C--O 1.224 -0.26 0 O-C-N 121.379 -0.825 . . . . 0.0 110.389 -168.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -23.88 13.42 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.87 0.868 . . . . 0.0 112.357 171.399 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -103.8 103.75 13.66 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 105.443 -2.058 . . . . 0.0 105.443 167.034 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.9 t -91.27 131.53 38.15 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 -170.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -92.2 139.09 30.97 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 106.471 -1.678 . . . . 0.0 106.471 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -39.4 -35.64 0.29 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.351 1.861 . . . . 0.0 113.145 172.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -51.09 -39.13 55.37 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 120.677 -1.264 . . . . 0.0 112.743 172.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.03 -36.92 83.16 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 120.946 -1.097 . . . . 0.0 111.173 174.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -60.85 -44.5 96.92 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 173.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.4 mp -56.15 -47.2 80.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 O-C-N 121.801 -0.562 . . . . 0.0 110.703 170.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.7 m -56.25 -47.64 78.11 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -51.46 -52.32 47.39 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.595 1.158 . . . . 0.0 110.765 172.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.1 tp -56.5 -52.38 64.95 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -51.51 -55.52 19.53 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 178.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.23 -55.86 29.22 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.355 0.662 . . . . 0.0 111.142 -178.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -60.27 -39.48 87.0 Favored 'General case' 0 CA--C 1.527 0.077 0 C-N-CA 122.748 0.419 . . . . 0.0 111.075 -175.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.45 -55.54 15.19 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 121.818 -0.551 . . . . 0.0 110.38 174.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 16.4 tpt -54.8 -43.76 73.17 Favored 'General case' 0 CA--C 1.528 0.105 0 C-N-CA 124.239 1.016 . . . . 0.0 111.631 -172.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.4 tp -60.59 -25.09 33.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-O 119.403 -0.332 . . . . 0.0 111.491 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -77.91 53.47 1.16 Allowed 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.095 -1.003 . . . . 0.0 109.732 171.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -49.31 -47.79 46.76 Favored 'General case' 0 CA--C 1.527 0.066 0 C-N-CA 125.321 1.448 . . . . 0.0 111.532 -170.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -62.82 -41.92 99.51 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.364 0.666 . . . . 0.0 110.406 -178.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.79 -41.73 82.72 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.3 tt -61.08 -56.06 25.3 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 123.072 0.549 . . . . 0.0 110.314 179.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -80.62 -30.67 36.75 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -172.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.232 0 CA-C-O 117.488 -1.729 . . . . 0.0 110.649 -170.508 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 53.0 mtt . . . . . 0 N--CA 1.474 0.74 0 N-CA-C 110.673 -0.121 . . . . 0.0 110.673 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 65.25 -67.0 0.13 Allowed 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 126.718 2.007 . . . . 0.0 112.755 177.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 15.3 m -163.12 87.18 1.31 Allowed Pre-proline 0 CA--C 1.532 0.271 0 C-N-CA 126.459 1.904 . . . . 0.0 106.601 179.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -38.76 -55.04 1.45 Allowed 'Trans proline' 0 N--CA 1.459 -0.552 1 C-N-CA 125.328 4.019 . . . . 0.0 115.354 -169.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -57.37 -42.32 81.88 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.862 -0.524 . . . . 0.0 112.297 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -71.3 -46.9 59.67 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 122.975 0.51 . . . . 0.0 109.734 -177.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -48.91 -49.11 41.58 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.297 0.639 . . . . 0.0 109.309 171.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.47 -57.25 8.72 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.75 0.42 . . . . 0.0 111.079 -174.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 13.2 tt -62.73 -39.52 85.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 120.728 -0.389 . . . . 0.0 109.992 -177.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.18 -53.18 46.68 Favored Glycine 0 CA--C 1.528 0.883 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 174.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -52.82 -54.83 28.66 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.899 0.879 . . . . 0.0 109.256 177.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 tt -53.91 -52.73 59.62 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.232 0.613 . . . . 0.0 110.796 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 60.9 mt -55.26 -52.74 42.35 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.233 0 C-N-CA 123.376 0.67 . . . . 0.0 109.878 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.96 -54.64 33.89 Favored Glycine 0 CA--C 1.529 0.932 0 N-CA-C 111.289 -0.724 . . . . 0.0 111.289 -178.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.6 mp -59.77 -43.56 91.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 O-C-N 122.088 -0.654 . . . . 0.0 110.084 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -60.02 -50.04 75.29 Favored 'General case' 0 N--CA 1.457 -0.097 0 CA-C-N 118.887 0.767 . . . . 0.0 110.946 177.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -52.17 -42.31 63.33 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.092 0.957 . . . . 0.0 109.974 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -70.5 -60.21 2.4 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -58.93 -38.16 78.34 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 125.022 1.329 . . . . 0.0 111.42 -169.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 10.8 t -72.56 58.77 0.43 Allowed 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.558 1.143 . . . . 0.0 109.547 171.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 44.42 44.45 8.02 Favored Glycine 0 CA--C 1.529 0.924 0 C-N-CA 125.628 1.585 . . . . 0.0 113.746 174.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 20.1 mtmm 54.44 31.1 14.0 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.972 0.909 . . . . 0.0 112.072 -178.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 64.59 -60.98 0.21 Allowed 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 128.104 2.562 . . . . 0.0 114.561 178.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -36.27 105.53 0.03 OUTLIER Glycine 0 CA--C 1.53 1.031 0 C-N-CA 125.14 1.352 . . . . 0.0 112.922 -171.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 23.8 t70 72.06 -55.38 0.67 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.865 1.666 . . . . 0.0 111.568 -174.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -74.58 56.56 0.69 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.546 0.738 . . . . 0.0 111.417 178.235 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -77.28 19.08 0.35 Allowed 'General case' 0 CA--C 1.539 0.544 0 O-C-N 120.823 -1.173 . . . . 0.0 112.147 -177.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 68.1 p -146.58 170.4 16.98 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 126.539 1.936 . . . . 0.0 106.424 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 10.9 mp -91.65 105.54 17.81 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 106.514 -1.661 . . . . 0.0 106.514 176.107 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 8.7 t -94.33 175.37 6.71 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.119 1.368 . . . . 0.0 110.595 173.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -26.82 -64.68 0.07 Allowed 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 128.127 2.571 . . . . 0.0 114.157 -171.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -58.88 -53.34 59.49 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 118.116 0.416 . . . . 0.0 110.071 -174.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -54.84 -46.06 74.57 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.506 0.722 . . . . 0.0 110.321 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.19 -57.9 9.77 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.245 0.618 . . . . 0.0 110.354 -178.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -53.92 -46.82 71.58 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 123.104 0.562 . . . . 0.0 110.352 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 52.0 tt0 -57.11 -47.96 79.79 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.508 0.723 . . . . 0.0 109.914 177.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 39.8 tp -60.59 -56.05 25.98 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -176.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 31.3 pt -60.08 -47.55 91.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.354 -174.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -64.67 -37.84 88.95 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 118.981 0.81 . . . . 0.0 111.051 -177.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -61.87 -48.36 80.89 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 118.159 0.436 . . . . 0.0 110.579 175.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -67.14 -27.26 67.16 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 178.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 15.4 tp -67.11 81.3 0.13 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.66 0.784 . . . . 0.0 110.79 -177.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' THR . . . . . 0.458 HG23 ' HB2' ' B' ' 46' ' ' SER . 4.2 t -67.66 66.55 0.09 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.432 1.893 . . . . 0.0 110.704 173.129 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 9.4 pt -43.4 100.76 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 C-N-CA 127.185 2.194 . . . . 0.0 112.663 -176.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 133.4 -34.43 2.43 Favored Glycine 0 C--N 1.336 0.562 0 N-CA-C 110.132 -1.187 . . . . 0.0 110.132 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.458 ' HB2' HG23 ' B' ' 43' ' ' THR . 4.1 m -77.34 67.02 3.21 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 125.035 1.334 . . . . 0.0 108.001 175.048 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -34.97 -54.08 0.58 Allowed 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 126.922 2.089 . . . . 0.0 113.438 -171.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -58.35 -55.81 30.21 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 122.826 0.45 . . . . 0.0 110.015 -179.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -55.5 -46.1 76.98 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.515 0.726 . . . . 0.0 109.499 178.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -62.27 -45.19 94.39 Favored 'General case' 0 N--CA 1.455 -0.21 0 O-C-N 121.074 -1.016 . . . . 0.0 111.883 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.3 -44.16 68.11 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 174.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -59.54 -44.35 93.24 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 118.426 -0.797 . . . . 0.0 109.914 173.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 13.1 mm -62.18 -52.01 65.51 Favored 'Isoleucine or valine' 0 C--N 1.343 0.287 0 CA-C-N 120.072 1.305 . . . . 0.0 109.893 -176.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 11.5 p -63.84 -40.77 90.25 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.958 -178.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 66.1 tttp -58.02 -51.6 68.98 Favored 'General case' 0 N--CA 1.456 -0.165 0 O-C-N 121.955 -0.466 . . . . 0.0 110.232 176.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 7.3 mp -59.0 -50.29 74.67 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -47.11 -59.42 3.15 Favored 'General case' 0 C--O 1.225 -0.215 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 177.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -53.21 -54.8 30.77 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.838 0.455 . . . . 0.0 111.163 178.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -58.02 -40.11 80.01 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.991 0.916 . . . . 0.0 112.643 -173.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -80.23 -43.32 21.62 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.655 0.662 . . . . 0.0 110.501 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -54.6 -59.71 4.34 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 124.455 1.102 . . . . 0.0 111.508 -178.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 70.66 -59.53 0.53 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.447 1.499 . . . . 0.0 109.972 -168.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -168.89 -39.88 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.36 1.464 . . . . 0.0 111.054 179.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 7.6 pttm -56.96 -34.46 68.08 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -170.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 16.2 t70 60.34 -70.2 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 127.784 2.434 . . . . 0.0 113.283 177.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.5 23.29 0.12 Allowed 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -168.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -147.09 97.82 2.94 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 125.025 1.33 . . . . 0.0 107.986 171.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 90.1 t -115.57 117.03 54.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 N-CA-C 106.198 -1.778 . . . . 0.0 106.198 168.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -90.45 159.63 16.45 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 123.215 0.606 . . . . 0.0 109.914 -169.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -43.78 -48.41 8.13 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.183 0.593 . . . . 0.0 112.255 174.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -51.44 -47.91 62.89 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 121.852 -0.53 . . . . 0.0 110.578 174.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -66.29 -33.15 75.09 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 123.044 0.538 . . . . 0.0 110.538 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -58.82 -47.89 83.23 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 118.829 0.74 . . . . 0.0 110.156 172.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -62.4 -44.92 99.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 C-N-CA 119.677 -0.809 . . . . 0.0 109.679 177.562 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 22.6 m -56.23 -37.52 69.83 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.836 -0.54 . . . . 0.0 111.312 174.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -62.07 -50.04 73.55 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 124.236 1.015 . . . . 0.0 109.524 176.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 5.8 tt -52.2 -52.21 53.6 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.376 0.67 . . . . 0.0 109.279 174.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.88 -59.91 7.57 Favored Glycine 0 CA--C 1.524 0.642 0 C-N-CA 124.044 0.83 . . . . 0.0 111.504 176.012 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.82 -41.41 67.33 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 125.088 1.355 . . . . 0.0 111.255 -178.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 51.2 tp -63.57 -55.61 22.47 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.55 -41.51 75.82 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 113.383 0.882 . . . . 0.0 113.383 -174.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 3.7 ppp? -57.24 -19.91 24.19 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -168.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 10.6 pt -61.56 -35.81 69.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-N 118.638 0.654 . . . . 0.0 110.304 174.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 63.44 165.99 0.13 Allowed 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 126.077 1.751 . . . . 0.0 113.243 -177.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 48.8 t30 60.81 -76.65 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 125.296 1.438 . . . . 0.0 109.979 -168.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -68.62 166.43 17.21 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 168.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 69.23 -60.75 0.45 Allowed 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 125.812 1.645 . . . . 0.0 109.918 -169.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 9.7 mp -52.89 -50.36 64.03 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.99 0.916 . . . . 0.0 109.253 170.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -96.96 37.21 1.32 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.621 0.768 . . . . 0.0 110.722 169.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.13 0 CA-C-O 117.0 -2.0 . . . . 0.0 113.138 177.236 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 tmt? . . . . . 0 N--CA 1.476 0.841 0 CA-C-O 120.639 0.257 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.27 68.1 0.49 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.533 1.133 . . . . 0.0 112.893 -169.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.0 p -64.22 164.03 21.1 Favored Pre-proline 0 CA--C 1.538 0.492 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 169.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -49.6 -42.87 41.58 Favored 'Trans proline' 0 N--CA 1.457 -0.673 0 C-N-CA 122.432 2.088 . . . . 0.0 111.8 169.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.9 tt -60.94 -51.72 68.07 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 122.826 0.45 . . . . 0.0 110.162 176.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -58.53 -46.35 86.98 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 120.693 0.283 . . . . 0.0 111.088 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -52.73 -48.28 66.78 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 122.937 0.495 . . . . 0.0 110.002 172.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.03 -51.95 64.78 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 122.307 0.243 . . . . 0.0 110.807 -173.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.2 pt -61.66 -39.66 84.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.02 177.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.03 -54.93 23.68 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.46 -0.656 . . . . 0.0 111.46 174.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.5 mp -56.26 -51.52 67.85 Favored 'General case' 0 N--CA 1.454 -0.228 0 O-C-N 122.221 -0.576 . . . . 0.0 109.861 175.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 69.3 tp -52.61 -55.17 24.27 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 118.295 0.498 . . . . 0.0 112.112 -178.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.1 pt -60.34 -41.17 86.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-O 119.005 -0.522 . . . . 0.0 109.772 -178.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -52.95 -54.51 28.35 Favored Glycine 0 CA--C 1.533 1.163 0 N-CA-C 111.61 -0.596 . . . . 0.0 111.61 171.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.5 mp -53.25 -50.45 46.89 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 C-N-CA 124.194 0.997 . . . . 0.0 110.06 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -57.24 -50.47 72.79 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.437 0.637 . . . . 0.0 110.423 177.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -56.21 -31.42 63.47 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 123.999 0.92 . . . . 0.0 111.751 -177.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -48.93 -49.08 41.92 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 119.381 0.992 . . . . 0.0 110.379 173.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -76.75 -63.45 1.35 Allowed 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.517 -0.919 . . . . 0.0 108.517 -177.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.0 m -55.34 -39.38 69.94 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.45 0.7 . . . . 0.0 112.539 -172.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -47.75 -44.18 23.51 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 124.29 0.948 . . . . 0.0 112.031 177.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -62.93 -23.38 67.35 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 118.014 0.907 . . . . 0.0 112.431 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -103.41 7.39 38.04 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.072 0.949 . . . . 0.0 110.985 175.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.99 115.94 0.09 OUTLIER Glycine 0 CA--C 1.529 0.933 0 N-CA-C 107.76 -2.136 . . . . 0.0 107.76 -168.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -77.18 61.46 2.09 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 118.344 1.072 . . . . 0.0 112.589 -172.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.3 pttm -78.98 51.36 1.12 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.072 1.349 . . . . 0.0 108.875 169.089 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 46.08 46.92 12.98 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 126.281 1.832 . . . . 0.0 112.726 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.2 t -147.09 164.59 32.57 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 121.715 -0.616 . . . . 0.0 109.673 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.7 tt -142.46 118.75 10.82 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 104.46 -2.422 . . . . 0.0 104.46 172.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.8 t -116.86 168.97 9.75 Favored 'General case' 0 N--CA 1.462 0.126 0 C-N-CA 123.962 0.905 . . . . 0.0 111.43 -169.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.7 tttp -21.56 -60.96 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 129.465 3.106 . . . . 0.0 114.007 -175.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -52.55 -60.89 2.69 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.106 0.962 . . . . 0.0 110.316 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -67.0 -27.92 67.83 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 119.095 -0.478 . . . . 0.0 111.453 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.53 -53.75 53.71 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 174.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -55.34 -52.82 62.26 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 123.451 0.7 . . . . 0.0 110.139 177.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -53.82 -49.65 67.92 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 110.585 -0.154 . . . . 0.0 110.585 177.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.9 tp -53.95 -59.83 4.12 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 118.294 -0.86 . . . . 0.0 109.595 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 38.6 pt -58.04 -43.64 85.52 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 CA-C-N 119.387 0.994 . . . . 0.0 110.73 -176.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.2 tp60 -58.84 -48.86 79.86 Favored 'General case' 0 N--CA 1.453 -0.307 0 O-C-N 122.17 -0.331 . . . . 0.0 111.39 -178.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -76.26 -35.09 59.11 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.583 0.353 . . . . 0.0 110.905 -176.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -57.93 -31.65 67.02 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.535 1.134 . . . . 0.0 110.645 172.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 tt -69.2 61.74 0.13 Allowed 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.374 0.607 . . . . 0.0 110.683 170.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.2 t -77.33 156.72 31.11 Favored 'General case' 0 N--CA 1.452 -0.332 0 O-C-N 121.123 -0.986 . . . . 0.0 109.739 174.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.3 pt -66.04 -24.89 34.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.532 169.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -28.24 -57.54 0.13 Allowed Glycine 0 C--N 1.346 1.099 0 C-N-CA 126.683 2.087 . . . . 0.0 114.252 -172.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.9 p -137.06 58.84 1.7 Allowed 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.973 0.909 . . . . 0.0 108.555 171.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -4.52 -81.38 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 128.402 2.681 . . . . 0.0 114.729 -178.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.9 tp -59.77 -44.77 93.74 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.811 0.845 . . . . 0.0 111.466 -174.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.5 tp60 -63.85 -42.27 97.61 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -65.78 -43.23 89.39 Favored 'General case' 0 C--O 1.225 -0.2 0 C-N-CA 119.309 -0.957 . . . . 0.0 111.365 176.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.06 -42.06 65.43 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 174.339 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -62.84 -41.76 99.46 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 119.117 -0.468 . . . . 0.0 110.852 173.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.4 mp -62.51 -44.71 99.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-N 119.538 1.063 . . . . 0.0 109.703 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 42.2 t -58.49 -46.09 89.84 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 C-N-CA 123.712 0.805 . . . . 0.0 109.846 176.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -56.61 -45.48 81.46 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 122.118 -0.363 . . . . 0.0 110.488 175.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 31.0 tp -58.63 -50.62 73.16 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.247 0.476 . . . . 0.0 110.135 177.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.6 mmm -49.15 -56.42 9.26 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.282 0.633 . . . . 0.0 110.206 174.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -57.67 -43.49 85.06 Favored 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 123.418 0.687 . . . . 0.0 111.049 -178.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -60.96 -50.13 74.65 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.526 0.603 . . . . 0.0 111.102 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.98 -45.72 76.81 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.367 0.267 . . . . 0.0 111.071 -178.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -66.62 -56.89 8.61 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 123.563 0.745 . . . . 0.0 110.78 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . 0.324 24.0 ptt-85 54.23 -57.89 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 129.891 3.276 . . . . 0.0 115.858 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -61.16 -58.22 9.24 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 119.094 0.861 . . . . 0.0 110.343 177.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? 73.07 -44.81 0.6 Allowed 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 125.229 1.412 . . . . 0.0 113.639 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -68.13 74.8 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 124.35 1.06 . . . . 0.0 109.125 171.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -169.86 179.95 3.47 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 122.578 1.18 . . . . 0.0 111.269 -169.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -112.73 129.27 56.47 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 103.01 -2.959 . . . . 0.0 103.01 167.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 62.2 t -106.76 135.28 45.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 105.543 -2.021 . . . . 0.0 105.543 172.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -91.73 151.97 20.39 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 119.1 0.864 . . . . 0.0 109.166 -177.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -42.13 -44.05 3.52 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.919 1.288 . . . . 0.0 113.0 177.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -64.64 -32.82 74.66 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.576 1.08 . . . . 0.0 111.406 -179.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -69.09 -44.83 71.71 Favored 'General case' 0 C--N 1.339 0.118 0 O-C-N 120.862 -1.149 . . . . 0.0 110.004 173.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -50.72 -48.93 58.72 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 121.144 0.497 . . . . 0.0 110.037 174.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 12.0 mm -59.56 -53.8 43.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 124.341 1.056 . . . . 0.0 111.304 177.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 64.9 m -53.55 -44.7 69.46 Favored 'General case' 0 C--O 1.237 0.438 0 O-C-N 121.753 -0.592 . . . . 0.0 110.032 179.01 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -61.7 -43.45 98.83 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.813 1.245 . . . . 0.0 110.855 175.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.22 -46.16 68.98 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 174.467 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.71 -59.44 10.25 Favored Glycine 0 CA--C 1.529 0.918 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 174.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.17 -49.45 66.62 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 122.865 0.466 . . . . 0.0 111.648 -177.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 24.5 tp -52.72 -63.65 1.07 Allowed 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 125.774 1.63 . . . . 0.0 109.786 174.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.9 -32.7 67.98 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 123.539 0.735 . . . . 0.0 111.725 -174.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 12.0 tpt -59.05 -14.07 8.59 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.862 -0.524 . . . . 0.0 112.381 176.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 14.7 tt -49.48 -31.68 5.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-N 119.456 1.025 . . . . 0.0 111.306 169.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -75.41 57.19 0.9 Allowed 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.519 -0.738 . . . . 0.0 110.681 172.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.36 24.27 0.14 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.921 1.288 . . . . 0.0 113.407 -172.308 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.84 -39.73 1.94 Allowed 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 126.709 2.004 . . . . 0.0 109.289 177.55 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.03 -44.5 80.09 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 167.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.0 mp -101.71 79.25 1.91 Allowed 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 104.71 -2.33 . . . . 0.0 104.71 168.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -55.27 119.07 4.99 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 122.022 -0.424 . . . . 0.0 111.744 -168.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.245 0 CA-C-O 117.296 -1.835 . . . . 0.0 111.253 174.529 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.0 ptm . . . . . 0 N--CA 1.478 0.969 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.39 -36.38 66.02 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.329 0.652 . . . . 0.0 110.696 174.01 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -46.89 -49.78 47.47 Favored Pre-proline 0 CA--C 1.537 0.454 0 C-N-CA 124.859 1.263 . . . . 0.0 114.048 -169.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -57.94 -43.21 50.74 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 122.359 2.039 . . . . 0.0 111.951 176.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 10.0 tt -62.86 -50.06 72.4 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 178.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -55.71 -47.0 77.6 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 122.144 -0.347 . . . . 0.0 111.357 177.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.86 -40.52 76.28 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 122.947 0.499 . . . . 0.0 110.192 175.122 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.17 -48.71 77.24 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 119.254 -0.403 . . . . 0.0 110.066 178.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 50.3 mm -51.83 -55.83 8.01 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 174.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.73 -51.93 26.85 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 124.101 0.857 . . . . 0.0 111.487 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 53.9 tp -60.47 -49.37 77.84 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 122.323 -0.516 . . . . 0.0 110.426 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 30.9 mt -58.07 -52.02 67.27 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 123.096 0.558 . . . . 0.0 111.406 -178.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 27.1 pt -59.67 -40.85 83.38 Favored 'Isoleucine or valine' 0 C--N 1.34 0.18 0 C-N-CA 119.885 -0.726 . . . . 0.0 109.576 176.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -48.5 -56.9 8.86 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 123.618 0.628 . . . . 0.0 111.746 172.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.6 mp -56.38 -54.62 25.94 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 C-N-CA 123.655 0.782 . . . . 0.0 109.568 178.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' PHE . . . . . 0.462 ' CE1' HD13 ' B' ' 29' ' ' LEU . 58.2 t80 -54.5 -41.85 70.08 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.015 0.436 . . . . 0.0 110.657 -177.712 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -69.81 -14.5 62.79 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.091 1.356 . . . . 0.0 112.744 -177.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -61.18 -59.77 4.81 Favored 'General case' 0 C--N 1.342 0.279 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 169.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -65.79 -63.48 1.08 Allowed 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.7 m -75.48 65.63 1.76 Allowed 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 123.32 0.648 . . . . 0.0 109.938 176.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 158.4 -65.75 0.29 Allowed Glycine 0 C--N 1.333 0.414 0 CA-C-N 118.275 0.489 . . . . 0.0 113.768 169.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm -71.42 -38.67 71.37 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 117.57 0.685 . . . . 0.0 110.545 -174.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -97.17 -49.26 5.04 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.367 1.067 . . . . 0.0 110.202 -175.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -129.2 -171.72 13.02 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -62.97 139.63 58.78 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.154 0.982 . . . . 0.0 111.092 -169.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 44.8 pttt -77.99 59.35 2.14 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 -173.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -131.29 -79.8 0.52 Allowed 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.404 1.081 . . . . 0.0 110.726 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 17.8 p -144.99 169.89 17.22 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 124.598 1.159 . . . . 0.0 108.873 -167.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.462 HD13 ' CE1' ' B' ' 16' ' ' PHE . 4.2 mp -88.34 73.87 8.75 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 105.168 -2.16 . . . . 0.0 105.168 -176.178 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.73 171.34 8.94 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 126.75 2.02 . . . . 0.0 107.763 -175.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 57.2 mttm -33.26 -55.68 0.41 Allowed 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 -170.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -56.32 -54.77 41.51 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.29 0.567 . . . . 0.0 111.157 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 23.0 mp0 -62.19 -42.31 99.17 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.826 0.85 . . . . 0.0 109.516 -177.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.11 -51.17 68.99 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 123.291 0.636 . . . . 0.0 109.949 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -57.59 -45.86 84.75 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 121.844 -0.535 . . . . 0.0 110.399 177.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -53.37 -53.8 45.84 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 120.609 0.243 . . . . 0.0 110.348 173.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.5 tt -54.23 -50.96 65.96 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.423 0.689 . . . . 0.0 110.613 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 85.3 mt -52.66 -51.55 34.31 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.13 0 C-N-CA 123.455 0.702 . . . . 0.0 109.574 176.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -58.63 -49.43 77.52 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.286 0.494 . . . . 0.0 111.025 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -60.35 -43.53 96.41 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.397 0.544 . . . . 0.0 111.37 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -59.85 -39.84 86.55 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.37 0.668 . . . . 0.0 110.418 174.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 2.7 tt -76.24 66.2 2.31 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.024 0.929 . . . . 0.0 108.833 175.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 13.7 t -84.21 -155.8 0.2 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.655 1.182 . . . . 0.0 109.912 177.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.419 HD12 ' H ' ' B' ' 44' ' ' ILE . 3.3 mp -66.45 89.01 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 176.41 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -56.81 74.68 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 C-N-CA 126.927 2.203 . . . . 0.0 113.444 -177.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 15.2 m -84.86 1.79 45.43 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.402 1.481 . . . . 0.0 112.223 -179.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 46.8 tptt 68.63 -57.85 0.49 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 127.146 2.178 . . . . 0.0 111.743 -176.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 58.1 tp -53.24 119.88 5.3 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.805 0.842 . . . . 0.0 108.734 169.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 74.83 -52.55 0.68 Allowed 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 126.001 1.721 . . . . 0.0 110.391 -170.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -55.75 -31.59 62.69 Favored 'General case' 0 C--O 1.222 -0.359 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -173.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.57 -47.71 66.65 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.285 0.948 . . . . 0.0 110.474 170.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -67.52 -37.18 82.39 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 118.712 -0.661 . . . . 0.0 110.801 175.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 46.9 mm -62.19 -48.21 89.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 CA-C-N 119.412 1.006 . . . . 0.0 109.997 178.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 56.0 t -54.66 -51.54 50.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 124.449 1.1 . . . . 0.0 109.404 173.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -51.81 -47.44 64.3 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 117.752 0.251 . . . . 0.0 110.665 176.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 7.8 tt -56.47 -60.24 3.81 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 124.187 0.995 . . . . 0.0 109.841 -179.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -62.48 -36.85 83.79 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -177.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -67.76 -48.09 67.37 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 118.082 0.401 . . . . 0.0 110.265 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -56.22 -37.35 69.57 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.728 0.811 . . . . 0.0 110.738 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 23.0 tp -68.71 -70.45 0.27 Allowed 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.308 0.575 . . . . 0.0 109.743 169.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -84.11 62.98 7.41 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.246 0.619 . . . . 0.0 110.29 -170.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 37.9 mtp85 -54.63 -40.02 68.52 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.532 0.733 . . . . 0.0 111.137 -174.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -79.64 -4.63 52.54 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.714 0.806 . . . . 0.0 112.673 -177.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt 69.96 3.89 4.54 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.519 1.528 . . . . 0.0 113.687 -177.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -165.52 137.59 4.12 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 104.981 -2.229 . . . . 0.0 104.981 168.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -162.59 165.5 25.83 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 119.04 0.836 . . . . 0.0 108.788 -170.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -119.08 95.24 4.73 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 106.283 -1.747 . . . . 0.0 106.283 168.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 94.3 t -92.79 114.73 30.15 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 -169.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -89.97 158.79 17.22 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 173.076 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -50.1 -41.42 48.34 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.308 1.043 . . . . 0.0 112.45 -170.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -64.11 -36.52 84.31 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.603 -0.685 . . . . 0.0 111.939 176.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -67.51 -45.99 74.2 Favored 'General case' 0 C--N 1.339 0.128 0 CA-C-N 119.857 1.208 . . . . 0.0 109.641 175.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -50.2 -49.91 51.09 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 120.908 0.385 . . . . 0.0 110.185 174.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.37 -46.78 89.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 O-C-N 121.94 -0.475 . . . . 0.0 110.617 -178.605 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 72.2 m -56.19 -43.89 78.9 Favored 'General case' 0 C--O 1.236 0.359 0 O-C-N 121.216 -0.927 . . . . 0.0 109.889 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -56.47 -44.44 80.57 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.412 1.085 . . . . 0.0 110.938 170.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.61 -48.45 69.27 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 175.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.24 -54.85 27.31 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.659 -0.576 . . . . 0.0 111.659 175.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.84 -52.26 63.32 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 117.547 0.674 . . . . 0.0 111.177 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 38.8 tp -53.86 -55.21 28.8 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.752 1.621 . . . . 0.0 110.326 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.43 -42.44 87.32 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.636 178.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 48.1 ttm -62.9 -46.2 88.94 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.927 -0.483 . . . . 0.0 111.419 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 20.9 tt -65.36 -34.67 72.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 118.667 0.667 . . . . 0.0 110.551 175.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 19.7 m-30 -74.65 59.58 0.86 Allowed 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 122.557 1.17 . . . . 0.0 109.357 168.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -65.21 -47.58 76.38 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.362 -169.193 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 45.6 mp0 -76.22 53.9 0.85 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.576 1.55 . . . . 0.0 110.034 176.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -170.28 -49.53 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 127.301 2.24 . . . . 0.0 106.51 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 31.7 tp -56.58 -48.34 77.58 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 168.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -74.52 62.67 1.03 Allowed 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 167.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.184 0 CA-C-O 117.022 -1.988 . . . . 0.0 109.95 -176.657 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.1 mtt . . . . . 0 N--CA 1.475 0.79 0 CA-C-O 120.856 0.36 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.46 -27.12 68.28 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 122.725 0.41 . . . . 0.0 111.278 171.228 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -32.85 -65.13 0.23 Allowed Pre-proline 0 CA--C 1.537 0.468 0 C-N-CA 126.352 1.861 . . . . 0.0 114.164 -174.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -55.22 -41.16 81.18 Favored 'Trans proline' 0 CA--C 1.537 0.654 0 C-N-CA 121.834 1.689 . . . . 0.0 113.517 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.79 -53.32 48.86 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -64.44 -32.26 73.81 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 120.514 -0.474 . . . . 0.0 111.751 -178.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -63.63 -42.72 98.14 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.224 0.61 . . . . 0.0 110.317 171.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.9 -47.47 83.14 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 118.685 0.675 . . . . 0.0 110.504 178.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 93.5 mt -55.38 -47.36 78.21 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 172.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.66 -49.43 16.34 Favored Glycine 0 CA--C 1.528 0.869 0 C-N-CA 125.516 1.531 . . . . 0.0 111.563 172.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.3 tp -63.34 -46.45 86.52 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 121.961 -0.729 . . . . 0.0 110.375 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 70.2 mt -56.23 -56.09 25.24 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 118.128 0.422 . . . . 0.0 111.275 175.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.3 pp -64.11 -30.94 51.41 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.261 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.339 -178.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.13 -56.13 22.28 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 124.416 1.007 . . . . 0.0 111.62 176.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -60.7 -42.45 92.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-N 117.978 0.889 . . . . 0.0 108.839 179.165 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -54.57 -45.81 73.59 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.619 -0.676 . . . . 0.0 110.128 172.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -53.46 -36.78 61.99 Favored 'General case' 0 N--CA 1.456 -0.145 0 O-C-N 121.179 -0.95 . . . . 0.0 112.105 -175.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -52.54 -41.25 63.34 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 122.448 0.299 . . . . 0.0 110.606 178.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -79.05 -51.44 9.57 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 176.184 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -48.29 -38.77 19.68 Favored 'General case' 0 C--O 1.226 -0.175 0 C-N-CA 124.32 1.048 . . . . 0.0 112.601 -175.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -45.44 -37.55 6.49 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.605 1.098 . . . . 0.0 112.886 177.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -60.6 -20.92 61.94 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 118.205 1.003 . . . . 0.0 112.279 179.194 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -128.24 37.75 4.1 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.483 1.913 . . . . 0.0 109.393 170.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 49.64 -105.81 0.18 Allowed Glycine 0 CA--C 1.53 0.999 0 C-N-CA 125.378 1.466 . . . . 0.0 113.123 178.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -90.17 -9.23 48.95 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.371 0.668 . . . . 0.0 112.075 -174.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.4 mtmt -73.66 81.84 1.54 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 119.14 0.882 . . . . 0.0 109.374 177.044 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.4 m80 -73.59 72.48 1.43 Allowed 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 169.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.9 p -125.3 160.54 29.04 Favored 'General case' 0 N--CA 1.437 -1.08 0 C-N-CA 127.247 2.219 . . . . 0.0 105.584 175.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.4 mp -93.83 80.36 4.19 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 105.717 -1.956 . . . . 0.0 105.717 171.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.0 m -91.39 162.0 14.77 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 175.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -46.57 -42.49 16.04 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.883 0.873 . . . . 0.0 112.623 -169.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -57.3 -45.62 84.0 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.897 0.879 . . . . 0.0 111.607 175.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -68.6 -41.16 79.99 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 118.609 -0.71 . . . . 0.0 110.495 177.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.2 mp -53.35 -55.44 24.87 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 118.983 0.81 . . . . 0.0 109.245 173.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.7 tmmm? -51.17 -54.82 21.79 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.611 0.764 . . . . 0.0 109.565 179.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -61.93 -42.36 99.01 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 122.314 -0.241 . . . . 0.0 111.603 -176.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.3 tp -59.62 -54.1 50.4 Favored 'General case' 0 N--CA 1.456 -0.154 0 O-C-N 121.789 -0.569 . . . . 0.0 109.838 177.106 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 81.8 mt -56.0 -50.04 71.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -52.62 -54.05 38.56 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.376 1.07 . . . . 0.0 111.067 177.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -69.45 -44.77 70.59 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 122.839 0.456 . . . . 0.0 111.425 -173.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -60.54 -38.29 84.01 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 121.024 0.44 . . . . 0.0 109.85 174.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.8 tp 64.64 -79.02 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 126.623 1.969 . . . . 0.0 111.72 175.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.2 t 178.96 176.91 0.52 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.933 1.693 . . . . 0.0 107.997 -176.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 19.6 mm -140.68 -58.29 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 C-N-CA 125.939 1.696 . . . . 0.0 106.562 168.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.34 166.45 31.65 Favored Glycine 0 C--N 1.335 0.5 0 N-CA-C 107.787 -2.125 . . . . 0.0 107.787 169.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.3 p -78.83 49.91 0.95 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.571 1.186 . . . . 0.0 110.893 -176.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.4 tptt 179.25 -69.53 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 127.751 2.421 . . . . 0.0 105.879 -179.106 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.6 tp -58.1 118.96 6.0 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.813 0.845 . . . . 0.0 109.568 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 68.34 -50.87 0.55 Allowed 'General case' 0 C--O 1.226 -0.161 0 C-N-CA 126.135 1.774 . . . . 0.0 112.152 -172.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -59.76 -31.29 69.51 Favored 'General case' 0 N--CA 1.453 -0.319 0 O-C-N 121.037 -1.04 . . . . 0.0 112.351 -174.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.89 -43.1 72.92 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 119.235 0.925 . . . . 0.0 110.617 170.124 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -67.42 -38.16 84.16 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 118.717 -0.659 . . . . 0.0 110.15 175.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 69.5 mt -60.61 -47.83 91.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-N 119.263 0.938 . . . . 0.0 109.597 176.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.8 t -57.05 -51.77 64.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 123.649 0.78 . . . . 0.0 109.675 176.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -55.6 -46.5 77.3 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.113 0.415 . . . . 0.0 110.954 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 56.8 tp -56.72 -56.86 16.12 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 123.956 0.903 . . . . 0.0 109.749 177.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 16.1 tpt -54.53 -50.36 68.07 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 122.305 0.242 . . . . 0.0 110.384 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -52.89 -54.89 28.08 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.722 0.809 . . . . 0.0 110.047 178.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -53.5 -61.31 2.38 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.345 0.658 . . . . 0.0 110.474 178.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 85.1 mt -49.65 -46.22 49.39 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.166 0.586 . . . . 0.0 110.499 -178.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -56.39 -23.39 37.62 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 -175.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -58.77 -29.09 66.52 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 120.197 1.362 . . . . 0.0 111.536 175.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -66.0 -29.3 69.66 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.027 0.531 . . . . 0.0 111.89 173.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.9 ttpp 94.29 118.37 0.02 OUTLIER 'General case' 0 C--O 1.234 0.286 0 C-N-CA 129.197 2.999 . . . . 0.0 104.741 -166.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -76.2 55.9 0.99 Allowed 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.819 1.248 . . . . 0.0 112.807 -169.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -111.66 -76.13 0.6 Allowed 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.472 1.109 . . . . 0.0 108.545 172.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -115.89 94.2 4.57 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 125.803 1.641 . . . . 0.0 107.755 175.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.9 t -94.41 138.72 19.98 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.107 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 177.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -91.57 155.43 18.38 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.643 -0.661 . . . . 0.0 111.458 -168.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -42.04 -45.81 4.01 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 126.006 1.722 . . . . 0.0 111.061 173.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -52.25 -38.79 59.14 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 119.331 -0.366 . . . . 0.0 110.903 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -68.25 -43.94 76.76 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 119.181 0.901 . . . . 0.0 110.301 -178.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -51.99 -55.93 17.41 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 173.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.1 tp -70.16 -36.21 66.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 119.818 -0.753 . . . . 0.0 111.493 -174.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 86.6 m -62.31 -39.46 93.1 Favored 'General case' 0 C--O 1.226 -0.169 0 O-C-N 121.128 -0.983 . . . . 0.0 109.001 176.03 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -61.51 -39.67 91.85 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 118.16 0.436 . . . . 0.0 110.598 171.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 tt -55.33 -49.84 71.17 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 174.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -49.74 -55.62 13.76 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 123.989 0.804 . . . . 0.0 112.132 172.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.81 -42.23 83.81 Favored 'General case' 0 N--CA 1.457 -0.1 0 C-N-CA 124.546 1.138 . . . . 0.0 111.68 -177.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 53.4 tp -67.87 -53.41 26.94 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 177.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.17 -47.75 71.67 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.233 1.013 . . . . 0.0 112.028 -177.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -8.61 4.39 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 -169.585 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.2 pp -57.81 -38.73 67.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-N 119.154 0.888 . . . . 0.0 109.672 168.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 61.19 -58.52 0.1 Allowed 'General case' 0 C--N 1.343 0.312 0 C-N-CA 127.956 2.502 . . . . 0.0 115.65 174.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -9.97 103.39 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 128.779 2.831 . . . . 0.0 113.781 178.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 72.41 -43.24 0.56 Allowed 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 126.002 1.721 . . . . 0.0 113.297 173.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.77 -52.71 59.36 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.998 0.817 . . . . 0.0 109.549 173.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.5 tp -78.45 48.76 0.8 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.835 0.854 . . . . 0.0 110.34 173.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -155.35 -49.89 0.08 Allowed 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.752 1.221 . . . . 0.0 108.698 175.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.087 0 CA-C-O 117.281 -1.844 . . . . 0.0 109.758 174.957 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.0 mmt . . . . . 0 N--CA 1.473 0.706 0 N-CA-C 110.48 -0.193 . . . . 0.0 110.48 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.46 67.55 1.06 Allowed 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 123.266 0.626 . . . . 0.0 109.614 175.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 30.7 t -69.77 139.32 88.44 Favored Pre-proline 0 N--CA 1.449 -0.519 0 C-N-CA 123.243 0.617 . . . . 0.0 110.411 -177.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -50.18 -27.39 17.27 Favored 'Trans proline' 0 N--CA 1.451 -1.023 0 C-N-CA 122.471 2.114 . . . . 0.0 111.57 167.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 39.6 tp -59.2 -54.37 47.67 Favored 'General case' 0 C--N 1.342 0.258 0 CA-C-N 118.536 0.607 . . . . 0.0 110.428 173.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -67.02 -35.78 80.67 Favored 'General case' 0 C--O 1.23 0.074 0 O-C-N 121.569 -0.707 . . . . 0.0 110.689 -178.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -55.54 -48.05 75.35 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 171.116 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.93 -47.48 86.24 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.343 0.657 . . . . 0.0 110.244 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 96.4 mt -56.83 -49.31 79.15 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.78 -53.43 36.34 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 176.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 57.4 tp -52.52 -52.33 55.16 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.335 0.654 . . . . 0.0 110.22 177.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 35.3 mt -58.01 -49.27 77.42 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 124.008 0.923 . . . . 0.0 111.077 -178.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 10.7 mm -52.16 -57.2 4.15 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 175.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.88 -59.48 10.52 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.671 -0.571 . . . . 0.0 111.671 -177.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 14.6 tt -64.23 -35.55 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 O-C-N 121.758 -0.848 . . . . 0.0 110.817 -175.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -64.62 -45.97 84.58 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 118.955 0.798 . . . . 0.0 110.169 177.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -54.8 -46.82 74.53 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 118.429 0.559 . . . . 0.0 110.17 173.148 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -63.41 -50.87 68.13 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 121.466 0.65 . . . . 0.0 109.801 -174.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -54.36 -48.34 71.58 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 125.821 1.648 . . . . 0.0 109.77 176.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 10.9 m -73.14 8.94 1.38 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.056 0.943 . . . . 0.0 113.462 174.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.22 -33.54 52.31 Favored Glycine 0 CA--C 1.529 0.947 0 CA-C-N 120.105 1.32 . . . . 0.0 113.036 -173.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -37.42 63.64 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.997 0.919 . . . . 0.0 110.896 173.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -101.79 25.58 8.43 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.527 1.531 . . . . 0.0 110.51 174.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 55.09 -111.59 2.35 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 124.333 0.968 . . . . 0.0 111.709 -175.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -114.13 14.71 18.3 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.009 1.323 . . . . 0.0 110.937 177.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -66.14 125.59 26.01 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 173.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -76.33 53.31 0.82 Allowed 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.937 0.718 . . . . 0.0 112.937 -169.684 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 9.8 t -146.51 142.76 28.39 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 123.877 0.871 . . . . 0.0 109.021 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 44.0 mt -94.92 128.41 41.68 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 171.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 23.2 t -91.57 170.25 10.09 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 178.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -50.12 -41.44 48.65 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.229 0.611 . . . . 0.0 109.371 174.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -44.08 -51.69 7.74 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.727 1.611 . . . . 0.0 111.163 172.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -65.1 -49.16 71.08 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.232 0.613 . . . . 0.0 109.512 -175.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.88 -49.74 76.65 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 117.929 0.332 . . . . 0.0 110.11 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -54.76 -51.39 65.84 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.218 0.207 . . . . 0.0 110.571 176.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -57.08 -45.1 83.58 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 122.233 -0.292 . . . . 0.0 111.631 177.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 44.8 tp -58.92 -50.42 74.09 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 118.766 0.712 . . . . 0.0 109.82 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 81.0 mt -57.06 -48.41 81.94 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 178.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -55.02 -54.43 43.12 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.904 0.881 . . . . 0.0 110.956 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -62.45 -46.41 88.63 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.348 0.659 . . . . 0.0 110.814 -178.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -53.96 -39.96 66.41 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.618 0.767 . . . . 0.0 110.201 174.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 17.6 tp 56.54 49.4 14.82 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.728 1.211 . . . . 0.0 109.179 178.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 8.9 t -59.62 131.5 51.12 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.605 -172.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.3 pp -74.12 67.59 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 123.572 0.749 . . . . 0.0 109.098 170.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.4 68.12 0.16 Allowed Glycine 0 CA--C 1.531 1.032 0 C-N-CA 126.012 1.768 . . . . 0.0 112.56 -175.089 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.1 p -82.31 58.23 3.98 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 127.434 2.294 . . . . 0.0 109.462 -173.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm 66.3 -70.83 0.1 Allowed 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 126.68 1.992 . . . . 0.0 111.646 172.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 81.2 mt -61.17 -50.7 72.08 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 175.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 10.9 mp0 -58.79 -36.12 73.92 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.959 177.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -72.83 -35.9 67.37 Favored 'General case' 0 C--O 1.224 -0.268 0 O-C-N 121.126 -0.984 . . . . 0.0 112.332 177.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.16 -46.46 68.88 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 169.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -59.23 -43.05 92.34 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 118.203 -0.904 . . . . 0.0 111.477 171.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 13.0 mm -61.67 -52.17 64.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 120.333 1.424 . . . . 0.0 110.867 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 21.7 m -63.55 -36.47 76.47 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 CA-C-N 118.539 0.609 . . . . 0.0 110.733 -178.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 40.7 ttpt -59.56 -50.97 71.82 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.554 0.615 . . . . 0.0 110.351 173.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 23.4 tp -58.7 -48.96 79.35 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -53.28 -53.92 43.83 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.913 0.885 . . . . 0.0 109.734 175.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -53.87 -50.86 65.35 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.368 0.667 . . . . 0.0 110.974 178.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -57.09 -41.44 78.86 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.255 0.622 . . . . 0.0 111.531 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 tt -66.99 -63.71 1.0 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 121.401 0.62 . . . . 0.0 109.761 176.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -74.36 67.18 1.4 Allowed 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 125.823 1.649 . . . . 0.0 110.459 -178.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.07 -50.0 70.26 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 173.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -74.87 61.92 1.06 Allowed 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.621 -0.674 . . . . 0.0 110.663 169.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 39.9 pttt -72.45 68.84 0.81 Allowed 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.152 0.981 . . . . 0.0 109.505 174.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -148.35 -56.05 0.21 Allowed 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.967 1.307 . . . . 0.0 109.352 -176.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -123.34 -91.32 0.55 Allowed 'General case' 0 N--CA 1.457 -0.098 0 C-N-CA 123.573 0.749 . . . . 0.0 110.558 -178.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -132.9 145.08 50.61 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 126.392 1.877 . . . . 0.0 106.158 -175.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 8.2 p -95.51 135.01 30.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 -177.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -92.2 152.16 20.0 Favored 'General case' 0 C--N 1.333 -0.119 0 O-C-N 121.795 -0.565 . . . . 0.0 110.191 -170.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -47.42 -42.77 22.88 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.319 0.648 . . . . 0.0 111.899 174.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 16.7 tp60 -59.05 -37.76 77.77 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.18 -0.95 . . . . 0.0 110.996 177.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -68.04 -40.53 82.84 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 118.86 -0.59 . . . . 0.0 109.688 174.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -56.71 -48.41 77.76 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.691 0.678 . . . . 0.0 109.858 176.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 22.0 mm -56.19 -53.46 39.12 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 123.112 0.565 . . . . 0.0 110.49 175.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 23.8 m -56.36 -46.89 79.81 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.999 -0.438 . . . . 0.0 110.564 -178.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -53.14 -48.99 67.47 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.563 1.145 . . . . 0.0 110.517 173.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 3.1 tt -57.42 -47.7 81.05 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 -178.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -51.02 -60.86 6.66 Favored Glycine 0 C--O 1.223 -0.558 0 CA-C-O 119.328 -0.706 . . . . 0.0 111.983 173.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.21 -51.75 66.94 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.119 0.96 . . . . 0.0 111.425 -177.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -52.52 -50.93 61.85 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 125.256 1.422 . . . . 0.0 109.77 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.08 -49.68 66.75 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 121.952 -0.468 . . . . 0.0 111.612 178.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 28.0 ttt -49.22 -39.13 28.77 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.991 1.717 . . . . 0.0 113.678 -172.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 17.9 pt -63.82 -18.73 22.96 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 119.06 0.845 . . . . 0.0 112.61 178.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 58.02 -137.29 0.91 Allowed 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 125.646 1.578 . . . . 0.0 110.655 178.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . 0.276 4.5 p30 41.25 -124.62 0.53 Allowed 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.898 1.279 . . . . 0.0 111.469 -177.008 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -48.83 -34.33 12.27 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 119.676 1.126 . . . . 0.0 113.044 -178.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.36 -32.63 68.74 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 118.49 0.586 . . . . 0.0 111.55 -175.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 25.8 mt -82.7 -12.48 57.56 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 119.618 -0.229 . . . . 0.0 111.609 -179.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -94.37 -44.17 8.05 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.928 0.891 . . . . 0.0 109.514 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.279 0 CA-C-O 117.353 -1.804 . . . . 0.0 111.175 -177.336 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.474 0.759 0 CA-C-O 120.65 0.262 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -160.79 178.49 9.39 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 125.075 1.35 . . . . 0.0 107.683 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.47 124.49 11.79 Favored Pre-proline 0 CA--C 1.536 0.415 0 C-N-CA 125.024 1.33 . . . . 0.0 109.187 173.495 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -33.39 -62.56 0.17 Allowed 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 124.883 3.722 . . . . 0.0 116.498 -169.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -57.84 -40.74 80.79 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.389 -0.819 . . . . 0.0 112.436 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -68.04 -42.9 79.84 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 121.93 -0.481 . . . . 0.0 109.928 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -56.85 -43.44 81.13 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 122.824 0.449 . . . . 0.0 109.964 173.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.31 -52.58 64.11 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 122.761 0.425 . . . . 0.0 110.224 -178.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.7 mt -50.03 -55.18 5.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 N-CA-C 108.706 -0.849 . . . . 0.0 108.706 172.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.97 -51.97 10.39 Favored Glycine 0 CA--C 1.524 0.639 0 C-N-CA 125.921 1.724 . . . . 0.0 112.212 178.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 30.3 mt -63.9 -49.59 72.08 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 117.838 0.819 . . . . 0.0 110.338 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mp -55.5 -52.98 61.86 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 119.449 -0.31 . . . . 0.0 111.336 -178.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.8 pt -67.32 -40.3 84.54 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 177.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -43.18 -56.89 4.45 Favored Glycine 0 C--N 1.335 0.502 0 C-N-CA 125.733 1.635 . . . . 0.0 110.884 176.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.1 tt -74.85 -53.17 17.16 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 117.921 0.86 . . . . 0.0 111.52 175.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -54.51 -45.48 73.33 Favored 'General case' 0 C--N 1.34 0.176 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -168.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -61.77 -31.86 72.09 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -173.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -57.25 -41.98 80.63 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-O 121.547 0.689 . . . . 0.0 109.457 -178.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -81.13 -65.6 0.99 Allowed 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.222 175.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 84.1 p -63.33 -23.11 67.27 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 -168.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -51.7 -32.33 32.31 Favored Glycine 0 CA--C 1.529 0.924 0 C-N-CA 123.879 0.752 . . . . 0.0 111.767 173.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -54.37 -30.9 53.41 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 117.513 0.656 . . . . 0.0 111.322 174.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -123.57 48.32 1.88 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.539 1.536 . . . . 0.0 108.515 170.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.81 66.38 0.83 Allowed Glycine 0 CA--C 1.527 0.831 0 C-N-CA 126.164 1.84 . . . . 0.0 111.807 -175.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -167.7 -59.62 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 127.908 2.483 . . . . 0.0 105.298 -177.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -63.62 -40.62 97.34 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.791 169.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 77.7 m80 58.94 61.43 2.15 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 122.372 1.082 . . . . 0.0 109.962 -177.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.6 p -131.03 170.25 14.75 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 106.123 -1.806 . . . . 0.0 106.123 176.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.5 tt -125.64 116.48 21.77 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.4 m -97.49 164.95 12.23 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.148 0.979 . . . . 0.0 112.285 -169.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -44.97 -47.77 11.42 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 125.34 1.456 . . . . 0.0 113.319 -170.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -55.3 -59.73 4.39 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.114 0.566 . . . . 0.0 109.831 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -50.46 -47.48 56.95 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.039 0.535 . . . . 0.0 110.321 176.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 48.8 tp -57.68 -55.67 31.88 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 119.319 -0.372 . . . . 0.0 110.875 -178.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.26 -40.38 90.16 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 119.123 0.874 . . . . 0.0 111.034 -178.577 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.6 -51.25 70.26 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.595 -0.691 . . . . 0.0 110.434 175.47 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 61.6 tp -54.28 -54.86 34.42 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.143 0.577 . . . . 0.0 110.138 176.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 59.6 mt -51.32 -53.07 16.87 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 C-N-CA 123.51 0.724 . . . . 0.0 109.997 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -52.74 -55.02 25.76 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 119.444 -0.312 . . . . 0.0 110.752 178.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -30.2 67.56 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -175.287 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -62.52 -46.96 86.01 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 119.027 0.831 . . . . 0.0 110.566 169.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 60.2 tp -71.05 -45.97 62.86 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 122.863 0.465 . . . . 0.0 111.006 -172.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 32.0 p 53.87 -109.57 0.49 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.439 1.496 . . . . 0.0 108.965 -168.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.5 pt -135.47 28.45 0.84 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 C-N-CA 125.171 1.388 . . . . 0.0 109.005 169.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.02 133.98 11.52 Favored Glycine 0 C--N 1.337 0.613 0 N-CA-C 110.299 -1.12 . . . . 0.0 110.299 -173.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.5 m -76.15 49.62 0.57 Allowed 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.197 1.399 . . . . 0.0 110.816 177.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -72.59 73.02 1.04 Allowed 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.769 1.227 . . . . 0.0 109.945 -175.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.8 tp -37.78 -54.14 1.25 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.097 1.359 . . . . 0.0 113.217 -175.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -53.28 -51.82 61.05 Favored 'General case' 0 CA--C 1.527 0.087 0 O-C-N 121.676 -0.64 . . . . 0.0 110.862 177.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -66.85 -31.16 71.59 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 118.504 -0.76 . . . . 0.0 111.398 179.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.81 -46.81 74.57 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 119.289 0.95 . . . . 0.0 108.823 171.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -60.18 -44.8 94.78 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 118.827 -0.606 . . . . 0.0 110.988 172.055 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 78.3 mt -56.31 -55.44 18.88 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 119.283 0.947 . . . . 0.0 110.536 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.2 m -63.78 -38.77 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-O 118.977 -0.535 . . . . 0.0 110.934 -177.199 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -56.49 -48.49 77.05 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 118.774 0.716 . . . . 0.0 109.87 173.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.4 tt -58.21 -54.25 49.1 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 67.2 mtm -56.24 -47.03 79.29 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 122.08 -0.387 . . . . 0.0 111.25 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -56.37 -53.15 60.71 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.505 0.722 . . . . 0.0 110.415 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -56.53 -50.18 72.61 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 121.047 0.451 . . . . 0.0 110.752 177.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 45.3 tp -55.93 -42.09 75.61 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.001 0.921 . . . . 0.0 110.731 -178.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -65.72 -55.51 16.97 Favored 'General case' 0 N--CA 1.456 -0.168 0 O-C-N 122.114 -0.366 . . . . 0.0 110.039 173.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.4 -38.15 18.81 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 125.096 1.359 . . . . 0.0 111.405 -177.291 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -47.76 -37.72 13.98 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.517 0.727 . . . . 0.0 111.812 176.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.34 44.28 2.98 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.236 1.414 . . . . 0.0 109.112 173.083 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -23.44 82.35 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 128.222 2.609 . . . . 0.0 115.592 -168.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -175.0 -60.14 0.01 OUTLIER 'General case' 0 C--N 1.339 0.11 0 C-N-CA 123.443 0.697 . . . . 0.0 111.123 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -145.93 170.23 17.02 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.922 1.289 . . . . 0.0 110.094 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 30.5 m -119.93 139.89 45.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 106.442 -1.688 . . . . 0.0 106.442 165.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -92.48 151.06 20.4 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -177.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -46.6 -44.13 17.89 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 177.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -59.12 -38.78 80.41 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 120.856 -1.153 . . . . 0.0 110.614 177.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -64.5 -47.47 78.79 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 176.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -49.7 -49.94 45.73 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.709 0.804 . . . . 0.0 110.349 173.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 16.4 mm -57.01 -53.82 38.07 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 O-C-N 121.589 -0.694 . . . . 0.0 111.146 176.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.1 p -63.29 -25.36 68.28 Favored 'General case' 0 C--O 1.223 -0.31 0 O-C-N 120.894 -1.129 . . . . 0.0 111.782 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.54 -45.61 82.72 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.116 0.966 . . . . 0.0 109.856 172.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.4 tp -54.09 -48.51 70.6 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 170.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -46.31 -60.0 4.9 Favored Glycine 0 CA--C 1.532 1.106 0 N-CA-C 111.757 -0.537 . . . . 0.0 111.757 172.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.08 -45.31 79.39 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 125.122 1.369 . . . . 0.0 111.418 -175.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 96.3 mt -58.6 -53.24 60.58 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 174.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.52 -38.79 72.3 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -178.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 22.8 mmt -54.41 -18.04 3.74 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.063 0.945 . . . . 0.0 113.209 177.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 96.2 mt -55.85 -33.92 35.9 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-N 119.432 1.015 . . . . 0.0 110.316 171.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 48.56 77.53 0.1 Allowed 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 125.185 1.394 . . . . 0.0 113.319 171.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -33.17 107.61 0.05 OUTLIER 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 126.101 1.76 . . . . 0.0 112.219 169.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 56.07 43.23 27.34 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.599 0.76 . . . . 0.0 112.392 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 55.42 41.68 30.76 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.538 0.735 . . . . 0.0 109.982 -171.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 18.4 tp 59.42 42.72 17.44 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.694 1.598 . . . . 0.0 110.839 -175.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -101.88 -112.44 0.21 Allowed 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 171.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.255 0 CA-C-O 117.332 -1.816 . . . . 0.0 111.2 -178.58 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.474 0.758 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.89 37.85 0.15 Allowed 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.698 -0.626 . . . . 0.0 110.75 170.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.68 -46.94 99.54 Favored Pre-proline 0 N--CA 1.449 -0.506 0 C-N-CA 124.466 1.107 . . . . 0.0 113.321 -168.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -58.01 -51.73 7.25 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 121.88 1.72 . . . . 0.0 111.25 178.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 94.5 mt -57.62 -49.36 76.68 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 178.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -58.09 -51.01 71.47 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -55.34 -43.85 75.38 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.7 -53.15 44.86 Favored 'General case' 0 N--CA 1.456 -0.154 0 O-C-N 122.289 -0.257 . . . . 0.0 110.481 -175.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 66.3 mt -55.86 -52.65 46.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 123.936 0.895 . . . . 0.0 108.806 178.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.53 -51.72 46.21 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.459 ' C ' HD23 ' B' ' 11' ' ' LEU . 6.4 tt -56.17 -55.69 30.03 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.958 0.903 . . . . 0.0 110.228 178.522 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 60.9 mt -57.25 -51.67 68.4 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 123.453 0.701 . . . . 0.0 110.586 -177.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 10.0 mm -51.57 -48.95 35.31 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.187 0 C-N-CA 123.572 0.749 . . . . 0.0 109.537 173.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -52.51 -66.64 2.53 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 123.835 0.731 . . . . 0.0 111.542 177.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 34.1 pt -60.44 -39.22 80.43 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.103 0 O-C-N 121.498 -1.001 . . . . 0.0 110.959 -175.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -67.67 -36.23 80.33 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 121.908 -0.495 . . . . 0.0 111.346 -179.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -60.16 -46.68 88.86 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 169.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -58.44 -44.09 89.02 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 118.667 0.667 . . . . 0.0 110.246 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -62.97 -78.12 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.784 174.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 88.8 p -67.45 -24.16 65.6 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 -168.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -46.94 -43.86 17.58 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 124.373 0.987 . . . . 0.0 112.987 -173.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -55.69 -29.62 59.69 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -113.33 18.19 17.98 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.511 1.524 . . . . 0.0 111.206 177.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 20.64 -91.38 0.01 OUTLIER Glycine 0 CA--C 1.529 0.91 0 C-N-CA 128.938 3.161 . . . . 0.0 115.277 -178.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -44.75 -42.22 7.54 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 125.92 1.688 . . . . 0.0 112.167 -178.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -71.0 80.37 0.66 Allowed 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 175.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -69.43 64.64 0.17 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.134 1.374 . . . . 0.0 109.71 174.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 8.4 p -142.51 152.43 42.66 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 126.042 1.737 . . . . 0.0 106.853 -173.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 3.7 tt -93.81 104.82 16.88 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 105.303 -2.11 . . . . 0.0 105.303 172.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 89.1 p -94.27 158.54 15.54 Favored 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 123.417 0.687 . . . . 0.0 111.161 -172.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 15.9 pttm -29.03 -53.72 0.12 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.938 2.095 . . . . 0.0 114.861 175.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.07 -49.92 74.37 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.769 0.795 . . . . 0.0 110.37 178.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -70.5 -33.35 71.12 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.229 1.412 . . . . 0.0 109.967 -176.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 tt -61.48 -54.1 47.73 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 125.314 1.446 . . . . 0.0 108.394 174.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -53.29 -51.24 62.94 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 177.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -52.23 -52.81 50.22 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 122.74 0.416 . . . . 0.0 111.18 175.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.8 tt -52.26 -57.9 8.29 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 119.153 -0.451 . . . . 0.0 109.976 179.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 38.0 pt -61.78 -44.87 99.43 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 119.761 -0.775 . . . . 0.0 111.175 -174.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -67.97 -36.59 80.3 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 118.864 0.757 . . . . 0.0 111.942 -177.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -71.56 -55.58 7.54 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.747 0.703 . . . . 0.0 110.798 176.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -70.42 -15.81 62.88 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 119.001 -0.523 . . . . 0.0 112.242 -176.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 50.8 mt 74.39 -55.58 0.66 Allowed 'General case' 0 C--N 1.34 0.165 0 C-N-CA 126.723 2.009 . . . . 0.0 110.2 -177.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 31.0 p 66.28 -70.0 0.11 Allowed 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 127.172 2.189 . . . . 0.0 111.902 178.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 tp -74.87 57.75 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.481 0 C-N-CA 125.075 1.35 . . . . 0.0 111.207 -175.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -79.23 49.52 3.57 Favored Glycine 0 CA--C 1.528 0.884 0 O-C-N 120.631 -1.293 . . . . 0.0 111.596 178.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 18.1 m 68.82 -35.6 0.3 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.677 1.991 . . . . 0.0 115.428 173.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -72.72 77.6 1.11 Allowed 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 119.118 0.872 . . . . 0.0 110.53 -174.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 52.3 mt 6.47 -57.7 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.447 1 C-N-CA 131.797 4.039 . . . . 0.0 117.111 173.085 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.83 -45.39 1.78 Allowed 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.158 0.983 . . . . 0.0 111.212 170.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 17.0 p30 -61.63 -41.71 97.86 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 176.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.24 -43.49 70.95 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 170.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -62.89 -37.99 89.12 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 118.628 -0.701 . . . . 0.0 111.745 173.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 83.3 mt -60.88 -50.43 80.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 CA-C-N 120.252 1.387 . . . . 0.0 109.866 175.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 77.7 t -58.01 -44.43 86.97 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 C-N-CA 123.167 0.587 . . . . 0.0 109.908 178.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -56.94 -49.58 75.22 Favored 'General case' 0 C--O 1.223 -0.291 0 C-N-CA 122.928 0.491 . . . . 0.0 109.988 175.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 11.8 tp -58.42 -45.45 88.43 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 122.808 0.443 . . . . 0.0 110.161 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 12.8 tmm? -55.8 -52.49 63.82 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 174.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -56.72 -43.26 80.42 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 122.741 0.416 . . . . 0.0 111.303 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -59.8 -48.47 81.55 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 124.364 1.066 . . . . 0.0 110.068 176.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 57.3 tp -57.0 -44.69 83.0 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.338 0.517 . . . . 0.0 110.332 175.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -67.93 -9.84 48.47 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.73 0.812 . . . . 0.0 112.824 173.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 46.53 30.9 1.19 Allowed 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 126.284 1.834 . . . . 0.0 111.162 -169.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 53.88 26.74 6.46 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.591 1.156 . . . . 0.0 111.866 -177.415 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 35.5 mtmm -76.35 -28.1 56.7 Favored 'General case' 0 C--O 1.227 -0.099 0 O-C-N 120.813 -1.179 . . . . 0.0 111.507 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 32.2 t70 50.78 59.39 4.63 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 125.355 1.462 . . . . 0.0 110.023 -171.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -118.8 -109.24 0.36 Allowed 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.671 0.788 . . . . 0.0 109.405 177.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -131.17 119.39 21.81 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 125.516 1.526 . . . . 0.0 108.323 -174.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 86.8 t -93.95 133.65 34.27 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.173 0 N-CA-C 105.663 -1.977 . . . . 0.0 105.663 169.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -89.17 149.6 23.07 Favored 'General case' 0 N--CA 1.462 0.151 0 O-C-N 120.853 -1.154 . . . . 0.0 109.07 -169.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -42.65 -49.59 5.53 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 113.696 0.999 . . . . 0.0 113.696 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -59.75 -38.49 81.92 Favored 'General case' 0 C--O 1.225 -0.22 0 O-C-N 121.195 -0.94 . . . . 0.0 110.223 179.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -66.26 -37.56 85.78 Favored 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 121.638 -0.664 . . . . 0.0 110.237 177.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -57.54 -50.56 72.69 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.523 0.601 . . . . 0.0 110.29 172.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 26.0 mm -57.47 -51.78 65.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 O-C-N 121.721 -0.612 . . . . 0.0 111.134 176.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 9.8 m -58.84 -37.16 75.83 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.764 -0.585 . . . . 0.0 110.169 -178.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -61.57 -48.03 82.84 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.89 0.876 . . . . 0.0 110.656 174.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 tp -52.57 -48.62 66.07 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 173.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.86 -56.34 14.35 Favored Glycine 0 CA--C 1.529 0.914 0 N-CA-C 112.051 -0.42 . . . . 0.0 112.051 173.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.39 -45.23 76.65 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.361 1.064 . . . . 0.0 111.303 -177.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 81.8 mt -60.17 -56.7 18.34 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 122.173 -0.329 . . . . 0.0 110.124 175.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.15 -36.67 61.11 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.798 -0.564 . . . . 0.0 112.112 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 24.2 ttt -55.72 -18.81 9.01 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.471 1.109 . . . . 0.0 113.535 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.7 pp -61.97 -23.48 31.62 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 CA-C-N 119.72 1.145 . . . . 0.0 111.966 173.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 50.28 61.35 3.24 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 124.968 1.307 . . . . 0.0 113.208 173.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -42.59 113.09 0.42 Allowed 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.286 1.034 . . . . 0.0 110.145 170.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 54.49 40.33 31.73 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.645 0.778 . . . . 0.0 111.354 177.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 51.9 35.47 15.8 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.014 0.926 . . . . 0.0 110.905 -175.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 65.2 mt 55.87 51.04 12.83 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.507 1.123 . . . . 0.0 111.582 -171.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -43.83 -38.47 3.32 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.026 0.531 . . . . 0.0 111.813 169.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.329 0 CA-C-O 117.248 -1.862 . . . . 0.0 109.744 169.275 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.8 tmm? . . . . . 0 N--CA 1.475 0.814 0 N-CA-C 110.466 -0.198 . . . . 0.0 110.466 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -160.97 125.73 3.61 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 174.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -45.34 -60.06 3.69 Favored Pre-proline 0 CA--C 1.539 0.557 0 C-N-CA 123.918 0.887 . . . . 0.0 112.716 -176.172 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -79.57 60.06 7.66 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 122.295 1.997 . . . . 0.0 110.301 177.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.4 mt -41.93 -58.52 2.02 Favored 'General case' 0 C--N 1.342 0.243 0 C-N-CA 124.685 1.194 . . . . 0.0 111.013 -176.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -57.91 -47.46 82.77 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 123.174 0.59 . . . . 0.0 111.546 -172.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -60.4 -45.31 94.02 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.67 -61.24 1.98 Allowed 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.433 0.635 . . . . 0.0 110.149 -172.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.6 tt -66.73 -40.21 85.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.602 -175.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.77 -50.63 65.4 Favored Glycine 0 C--N 1.339 0.711 0 N-CA-C 110.515 -1.034 . . . . 0.0 110.515 176.437 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.9 tp -57.47 -53.72 54.92 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 118.131 0.966 . . . . 0.0 109.896 176.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.8 tp -55.2 -50.61 68.95 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 120.765 0.317 . . . . 0.0 111.484 -176.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 84.6 mt -61.31 -42.3 93.06 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.274 0 C-N-CA 123.269 0.628 . . . . 0.0 109.603 176.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.64 -54.74 28.77 Favored Glycine 0 CA--C 1.528 0.881 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 176.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 32.5 mm -60.26 -36.76 70.56 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 O-C-N 122.127 -0.631 . . . . 0.0 110.635 178.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -60.36 -55.62 31.38 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.983 0.811 . . . . 0.0 110.24 173.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -61.94 -24.98 67.33 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 124.668 1.187 . . . . 0.0 111.334 -177.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -53.54 -46.5 70.22 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 118.838 0.745 . . . . 0.0 109.265 170.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -78.36 -63.87 1.3 Allowed 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 177.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.4 m -54.91 -24.16 22.26 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -174.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.63 -30.34 13.54 Favored Glycine 0 CA--C 1.526 0.779 0 C-N-CA 125.333 1.444 . . . . 0.0 113.642 172.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -75.02 58.99 0.9 Allowed 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.402 1.601 . . . . 0.0 110.696 174.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 52.27 47.94 23.69 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.066 1.746 . . . . 0.0 112.841 176.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.56 -42.45 97.41 Favored Glycine 0 CA--C 1.532 1.096 0 N-CA-C 109.799 -1.32 . . . . 0.0 109.799 169.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.0 t70 68.23 -67.68 0.19 Allowed 'General case' 0 C--N 1.339 0.125 0 C-N-CA 127.444 2.298 . . . . 0.0 110.883 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -71.15 143.98 50.37 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 169.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -67.59 72.27 0.14 Allowed 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 122.608 1.194 . . . . 0.0 110.048 -178.25 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 65.6 p -146.74 171.2 15.51 Favored 'General case' 0 N--CA 1.435 -1.192 0 C-N-CA 126.705 2.002 . . . . 0.0 107.483 -169.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.7 tt -121.1 111.08 17.0 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 105.315 -2.106 . . . . 0.0 105.315 172.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.9 t -93.93 160.8 14.57 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.92 1.288 . . . . 0.0 111.469 -168.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -24.16 -64.47 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 127.855 2.462 . . . . 0.0 113.464 175.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.4 pttt -46.73 -51.71 15.57 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.248 1.819 . . . . 0.0 112.155 177.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -74.09 -34.58 64.03 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 124.938 1.295 . . . . 0.0 109.648 -175.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 36.7 tp -64.55 -46.32 83.3 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 176.437 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -56.3 -48.47 76.59 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.035 0.534 . . . . 0.0 110.67 171.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -51.45 -55.87 16.39 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.466 0.575 . . . . 0.0 110.896 175.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 58.7 tp -54.52 -52.09 63.1 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.399 0.68 . . . . 0.0 110.372 179.017 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 57.7 mt -53.62 -47.31 61.19 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 C-N-CA 123.513 0.725 . . . . 0.0 110.179 178.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -56.51 -51.66 67.66 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 178.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -55.1 -52.45 63.19 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 118.468 0.576 . . . . 0.0 111.676 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -55.31 -38.34 68.54 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 122.691 0.396 . . . . 0.0 111.668 178.04 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.5 tp -70.74 -39.8 73.09 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.155 0.582 . . . . 0.0 110.069 178.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 47.7 m 56.47 -87.54 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.344 1.857 . . . . 0.0 109.568 -169.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.6 pt -142.6 25.1 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 125.18 1.392 . . . . 0.0 110.606 176.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -74.77 -167.92 20.17 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 178.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 82.2 p -151.74 -104.93 0.06 Allowed 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.985 -0.715 . . . . 0.0 110.686 175.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -54.87 -66.46 0.4 Allowed 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.517 1.127 . . . . 0.0 111.958 -168.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -58.61 -49.44 77.48 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-O 121.357 0.598 . . . . 0.0 109.627 -173.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -56.92 -47.38 80.72 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.966 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -68.21 -35.9 78.71 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 118.869 -0.586 . . . . 0.0 112.343 -179.16 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.07 -45.79 71.81 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 169.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -64.4 -33.83 76.76 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 117.701 -1.143 . . . . 0.0 112.385 171.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 43.0 mm -62.46 -43.65 98.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 121.356 1.889 . . . . 0.0 110.281 173.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 70.4 t -61.34 -48.69 87.75 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 O-C-N 121.588 -0.695 . . . . 0.0 109.64 177.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -55.63 -48.26 75.24 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 122.096 -0.378 . . . . 0.0 110.376 176.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 69.7 tp -57.99 -50.06 74.69 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.458 0.703 . . . . 0.0 109.857 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 58.7 tpp -52.15 -54.27 32.74 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.528 0.731 . . . . 0.0 109.158 176.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -53.56 -51.94 61.3 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.794 0.438 . . . . 0.0 111.468 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -61.71 -46.53 89.27 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.288 0.635 . . . . 0.0 112.501 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 60.4 tp -79.92 -45.75 17.99 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.997 1.319 . . . . 0.0 112.694 -168.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -73.36 67.82 1.04 Allowed 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.14 0.976 . . . . 0.0 112.63 -167.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -79.69 54.49 1.82 Allowed 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.162 0.985 . . . . 0.0 109.523 173.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -166.17 -96.44 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 125.354 1.461 . . . . 0.0 107.931 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -169.91 157.44 6.71 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 126.683 1.993 . . . . 0.0 105.685 171.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -76.07 70.59 2.77 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.124 0.488 . . . . 0.0 110.795 -171.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -130.62 -58.02 1.04 Allowed 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 126.453 1.901 . . . . 0.0 108.694 174.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -145.07 151.71 38.96 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 106.568 -1.642 . . . . 0.0 106.568 172.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.8 m -116.91 150.21 18.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 169.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -91.9 160.12 15.43 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 121.52 -0.737 . . . . 0.0 110.168 -169.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -42.7 -42.76 3.62 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 169.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.0 tm0? -50.43 -45.95 56.18 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.117 -0.989 . . . . 0.0 111.165 172.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -68.83 -35.88 77.51 Favored 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 121.38 -0.825 . . . . 0.0 109.789 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -59.72 -45.64 91.55 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.1 0.864 . . . . 0.0 111.215 170.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 29.9 mm -56.61 -46.04 82.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 O-C-N 120.754 -1.216 . . . . 0.0 109.737 173.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.3 m -61.24 -36.73 80.77 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.664 -0.647 . . . . 0.0 110.668 177.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -57.26 -50.53 72.6 Favored 'General case' 0 C--N 1.339 0.15 0 CA-C-N 119.145 0.884 . . . . 0.0 109.75 173.105 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.1 tp -51.32 -52.17 47.8 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 176.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -52.95 -55.67 22.55 Favored Glycine 0 CA--C 1.533 1.169 0 N-CA-C 112.428 -0.269 . . . . 0.0 112.428 176.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.42 -52.74 60.8 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.001 1.32 . . . . 0.0 110.827 -175.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.51 -48.47 80.91 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 177.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.36 -32.75 26.85 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-O 118.046 -0.978 . . . . 0.0 113.134 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.2 mmm -48.48 -22.45 0.73 Allowed 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 175.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 15.7 tt -47.81 -41.57 8.9 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 CA-C-N 119.397 0.999 . . . . 0.0 111.455 171.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 21.0 m-30 57.76 -70.8 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 127.346 2.258 . . . . 0.0 115.188 174.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -22.9 -63.74 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 128.12 2.568 . . . . 0.0 115.233 -168.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 34.9 mp0 -71.39 -29.83 65.4 Favored 'General case' 0 C--N 1.333 -0.112 0 O-C-N 121.83 -0.543 . . . . 0.0 112.306 -172.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -77.63 -58.48 3.24 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 174.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.6 mt -79.38 46.16 0.71 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.275 1.03 . . . . 0.0 110.894 178.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -66.16 -37.45 85.68 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.501 0.72 . . . . 0.0 111.755 -177.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.182 0 CA-C-O 116.985 -2.009 . . . . 0.0 112.094 -173.979 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mpp? . . . . . 0 N--CA 1.475 0.776 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.59 170.39 22.49 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 106.961 -1.496 . . . . 0.0 106.961 174.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.37 143.77 64.57 Favored Pre-proline 0 CA--C 1.538 0.517 0 C-N-CA 123.171 0.588 . . . . 0.0 110.82 -177.341 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -52.34 -51.64 10.68 Favored 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 123.966 3.111 . . . . 0.0 113.515 -168.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 81.4 mt -54.72 -58.42 7.59 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 120.792 0.329 . . . . 0.0 110.491 -177.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -67.06 -33.96 76.63 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 119.033 -0.508 . . . . 0.0 111.706 -176.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.18 -46.17 91.59 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.699 0.681 . . . . 0.0 109.405 173.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.37 -49.51 69.03 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 123.072 0.549 . . . . 0.0 110.569 -176.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 85.7 mt -54.55 -52.15 43.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 173.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.31 -52.26 13.77 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 124.571 1.082 . . . . 0.0 111.403 176.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 6.1 tt -57.42 -64.95 0.72 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.444 0.698 . . . . 0.0 109.934 177.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 30.1 tp -57.37 -54.23 49.22 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 121.454 0.645 . . . . 0.0 110.733 -172.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 41.8 mm -64.6 -38.14 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 -178.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.1 -43.12 73.22 Favored Glycine 0 CA--C 1.528 0.879 0 CA-C-N 118.816 0.734 . . . . 0.0 111.981 173.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 32.5 mm -64.75 -59.09 4.69 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-N 117.963 0.881 . . . . 0.0 109.343 173.103 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -45.48 -51.98 10.89 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.361 1.064 . . . . 0.0 111.497 -177.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -41.2 -39.78 1.41 Allowed 'General case' 0 C--N 1.335 -0.029 0 C-N-CA 129.058 2.943 . . . . 0.0 113.227 178.759 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -60.7 -44.7 96.23 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 118.199 0.454 . . . . 0.0 110.123 -174.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -82.9 -72.61 0.44 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 122.207 1.003 . . . . 0.0 108.66 172.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 73.1 m -80.92 64.6 5.74 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 125.267 1.427 . . . . 0.0 110.4 -174.079 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 157.48 50.9 0.01 OUTLIER Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 176.143 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.12 70.71 1.1 Allowed 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 117.621 0.711 . . . . 0.0 110.416 179.193 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 67.91 -63.71 0.31 Allowed 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 126.467 1.907 . . . . 0.0 109.756 -170.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.02 131.09 48.33 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 108.443 -1.863 . . . . 0.0 108.443 169.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -76.03 60.62 1.43 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.078 0.951 . . . . 0.0 112.097 -171.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -71.05 73.08 0.61 Allowed 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 172.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 41.5 p-80 -76.19 47.19 0.44 Allowed 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.974 0.893 . . . . 0.0 110.776 177.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 34.5 p -145.7 152.49 39.69 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 105.255 -2.128 . . . . 0.0 105.255 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 19.2 tp -122.57 135.96 54.76 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.274 1.03 . . . . 0.0 108.319 -174.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 70.4 p -92.02 155.32 18.19 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 174.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 50.3 pttt -54.79 -33.87 61.96 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 122.418 -0.176 . . . . 0.0 110.949 171.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -58.13 -60.56 3.56 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.55 0.74 . . . . 0.0 110.215 172.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -53.78 -45.57 70.74 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 121.838 -0.539 . . . . 0.0 110.853 178.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 41.9 tp -58.57 -53.8 54.2 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.557 0.743 . . . . 0.0 110.676 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -45.91 91.96 Favored 'General case' 0 C--O 1.226 -0.134 0 CA-C-N 118.938 0.79 . . . . 0.0 110.696 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.8 -46.51 74.51 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.875 0.762 . . . . 0.0 111.048 175.368 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 55.1 tp -59.31 -51.49 69.72 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 121.848 -0.532 . . . . 0.0 110.621 177.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 78.3 mt -62.76 -41.31 91.93 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-N 118.971 0.805 . . . . 0.0 109.858 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -55.09 -47.3 75.12 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 121.333 -0.854 . . . . 0.0 110.025 174.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -62.28 -55.74 25.35 Favored 'General case' 0 CA--C 1.53 0.2 0 O-C-N 121.824 -0.548 . . . . 0.0 110.529 177.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -43.33 -44.61 5.62 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.649 1.98 . . . . 0.0 111.814 175.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 86.9 mt -93.98 -2.15 53.53 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.381 0.673 . . . . 0.0 112.442 -176.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 41.2 p 53.5 -104.58 0.21 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.731 1.612 . . . . 0.0 112.031 174.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 38.3 pt -81.72 -32.03 11.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 C-N-CA 124.489 1.116 . . . . 0.0 111.405 -178.082 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -53.79 -43.17 69.93 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 110.127 -1.189 . . . . 0.0 110.127 -176.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.9 m -31.86 -43.1 0.07 Allowed 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 128.695 2.798 . . . . 0.0 113.985 169.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -51.75 -38.27 54.7 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.212 0.605 . . . . 0.0 111.816 -177.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -102.35 -42.01 6.14 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 122.997 0.519 . . . . 0.0 110.422 174.031 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -63.27 -22.97 67.21 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-O 118.148 -0.93 . . . . 0.0 113.059 -174.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -59.74 -30.74 69.05 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 121.006 1.73 . . . . 0.0 114.455 -172.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.15 -47.02 72.4 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 121.491 0.662 . . . . 0.0 109.283 169.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -68.69 -33.01 73.24 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 117.802 -1.094 . . . . 0.0 111.058 174.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 90.5 mt -59.51 -52.48 60.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 121.016 1.735 . . . . 0.0 109.223 175.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 80.7 t -56.39 -50.97 69.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 122.718 0.407 . . . . 0.0 110.074 178.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -54.67 -45.99 73.98 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 119.86 -0.114 . . . . 0.0 110.925 178.106 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 65.5 tp -60.46 -51.05 71.1 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.957 0.903 . . . . 0.0 110.119 -179.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 47.0 mtm -54.37 -54.28 42.68 Favored 'General case' 0 C--N 1.339 0.125 0 CA-C-N 117.99 0.359 . . . . 0.0 110.191 177.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -53.98 -53.21 56.06 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 122.249 0.22 . . . . 0.0 110.998 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -59.88 -44.25 94.3 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.175 0.99 . . . . 0.0 111.689 -176.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -72.95 -59.19 2.82 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 -176.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -81.97 56.14 3.02 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.174 0.59 . . . . 0.0 110.864 -170.105 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -56.12 -38.45 70.8 Favored 'General case' 0 N--CA 1.462 0.149 0 O-C-N 122.033 -0.417 . . . . 0.0 111.298 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 25.0 p-10 -63.74 -51.54 64.47 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 122.99 0.516 . . . . 0.0 111.063 -178.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -152.12 76.72 1.18 Allowed 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.893 0.877 . . . . 0.0 110.583 -173.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -73.59 69.1 1.23 Allowed 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 168.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -149.83 -100.33 0.07 Allowed 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 126.128 1.771 . . . . 0.0 108.173 -171.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -120.23 127.93 52.88 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 127.056 2.142 . . . . 0.0 105.956 171.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 35.9 m -119.77 154.55 22.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 C-N-CA 124.594 1.158 . . . . 0.0 108.896 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -91.83 158.74 16.16 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 122.952 0.501 . . . . 0.0 109.953 -171.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -39.05 -47.12 1.47 Allowed 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 170.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -57.13 -39.09 74.46 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.055 -1.028 . . . . 0.0 111.473 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -70.75 -40.94 72.39 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 121.553 -0.717 . . . . 0.0 109.785 177.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -54.16 -50.74 66.3 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.18 0.446 . . . . 0.0 110.404 172.075 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 10.4 mm -53.32 -50.95 44.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 O-C-N 121.897 -0.502 . . . . 0.0 110.334 173.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 30.2 m -58.05 -38.0 75.45 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.73 -0.607 . . . . 0.0 111.02 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -58.97 -47.63 84.44 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.876 0.87 . . . . 0.0 109.531 175.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.37 -49.82 71.31 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 174.508 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.57 -56.21 9.91 Favored Glycine 0 C--O 1.222 -0.647 0 C-N-CA 124.469 1.033 . . . . 0.0 111.285 177.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.08 -52.54 64.89 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 118.333 1.067 . . . . 0.0 110.724 177.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 58.4 tp -54.14 -37.61 64.57 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.976 0.911 . . . . 0.0 111.615 -177.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.68 -52.87 7.41 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 117.966 0.348 . . . . 0.0 111.306 175.109 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 52.2 ttm -52.35 -38.45 58.74 Favored 'General case' 0 CA--C 1.528 0.109 0 C-N-CA 125.989 1.715 . . . . 0.0 111.682 -174.102 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 13.8 tt -54.31 -27.02 16.49 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 177.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -75.35 48.36 0.42 Allowed 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.813 0.845 . . . . 0.0 110.793 175.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.86 150.66 41.23 Favored 'General case' 0 N--CA 1.455 -0.183 0 O-C-N 121.28 -0.888 . . . . 0.0 109.125 178.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 70.86 -59.53 0.53 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.612 1.565 . . . . 0.0 109.725 -169.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.27 -35.69 62.83 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.383 1.073 . . . . 0.0 112.493 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 15.5 mt -53.73 -32.35 51.75 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 171.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 45.0 mttp 52.43 -115.28 0.91 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.724 1.21 . . . . 0.0 111.28 -178.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 117.52 -1.711 . . . . 0.0 108.982 -169.78 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.3 mtt . . . . . 0 N--CA 1.473 0.718 0 CA-C-O 121.408 0.623 . . . . 0.0 110.699 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.84 -147.49 0.12 Allowed 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.913 0.885 . . . . 0.0 110.482 174.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.361 58.4 m 32.3 -95.96 0.0 OUTLIER Pre-proline 0 CA--C 1.544 0.737 0 C-N-CA 125.887 1.675 . . . . 0.0 114.836 -169.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -75.16 60.72 5.63 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 CA-C-N 122.834 2.048 . . . . 0.0 110.588 176.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 mt -45.61 -61.12 1.83 Allowed 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 126.094 1.758 . . . . 0.0 110.504 -172.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -59.97 -44.78 94.24 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 112.33 0.492 . . . . 0.0 112.33 -171.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -62.53 -44.76 95.56 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 177.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.65 -54.51 10.13 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.248 0.546 . . . . 0.0 110.0 -169.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.5 mm -52.31 -52.47 24.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 170.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.79 -51.69 12.65 Favored Glycine 0 CA--C 1.525 0.677 0 C-N-CA 124.304 0.954 . . . . 0.0 112.179 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -59.89 -54.1 50.15 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 117.719 0.76 . . . . 0.0 110.215 178.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -60.53 -53.06 62.02 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.179 0.592 . . . . 0.0 110.992 -173.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mp -53.41 -50.7 47.03 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.263 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 171.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -45.64 -56.87 6.24 Favored Glycine 0 CA--C 1.525 0.681 0 C-N-CA 124.9 1.238 . . . . 0.0 111.916 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.1 tt -64.78 -49.98 77.54 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 CA-C-N 117.875 0.837 . . . . 0.0 110.931 177.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -58.21 -44.07 87.96 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.827 0.739 . . . . 0.0 111.531 -172.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -50.29 -30.05 11.06 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 126.174 1.789 . . . . 0.0 111.447 177.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -60.45 -47.99 83.72 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 119.534 1.061 . . . . 0.0 109.787 175.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -61.33 -49.57 76.46 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.0 m -48.2 -51.15 26.54 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.821 -0.172 . . . . 0.0 110.625 172.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.12 -56.95 9.47 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 125.424 1.488 . . . . 0.0 111.507 177.02 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -77.92 60.92 2.42 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 118.103 0.951 . . . . 0.0 111.233 174.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 62.88 26.55 15.62 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 126.4 1.88 . . . . 0.0 114.075 169.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.55 48.34 3.42 Favored Glycine 0 CA--C 1.532 1.12 0 CA-C-N 119.197 0.908 . . . . 0.0 111.923 175.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.7 t70 53.76 -75.21 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 128.057 2.543 . . . . 0.0 113.485 -178.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -150.01 -54.67 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 127.296 2.238 . . . . 0.0 106.199 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -151.47 60.39 0.89 Allowed 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.643 173.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.5 p -135.85 170.19 16.39 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 173.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.1 mt -118.91 113.84 21.67 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 126.162 1.785 . . . . 0.0 107.366 176.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.9 m -92.91 165.53 12.84 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 168.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -30.86 -52.59 0.18 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 127.527 2.331 . . . . 0.0 114.13 -171.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -63.7 -50.48 69.0 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.219 0.463 . . . . 0.0 111.257 -177.284 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -64.1 -43.16 96.19 Favored 'General case' 0 N--CA 1.455 -0.176 0 O-C-N 121.914 -0.491 . . . . 0.0 109.897 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 36.7 tp -58.0 -49.82 75.53 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.7 tmtm? -54.16 -49.39 69.4 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.824 0.849 . . . . 0.0 109.878 175.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -54.14 -53.48 52.77 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.59 0.632 . . . . 0.0 110.921 176.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.1 tp -54.65 -57.13 12.66 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.854 0.461 . . . . 0.0 110.045 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.6 mp -56.88 -47.49 82.97 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.245 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 -178.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -54.34 -50.6 67.04 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.53 0.732 . . . . 0.0 110.564 178.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.7 ttpp -59.46 -44.79 92.92 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 122.855 0.462 . . . . 0.0 110.912 177.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -63.38 -31.04 72.08 Favored 'General case' 0 CA--C 1.535 0.404 0 O-C-N 121.958 -0.464 . . . . 0.0 111.963 175.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.8 mt -77.16 49.96 0.72 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.071 0.948 . . . . 0.0 110.519 173.02 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.61 -0.26 25.81 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.614 1.166 . . . . 0.0 110.11 168.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 26.7 mm 70.36 -71.62 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.221 0 C-N-CA 126.825 2.05 . . . . 0.0 109.658 177.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 30.17 -93.88 0.01 OUTLIER Glycine 0 CA--C 1.531 1.069 0 C-N-CA 127.22 2.343 . . . . 0.0 114.845 177.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 75.8 p -71.26 -19.51 62.34 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.301 1.04 . . . . 0.0 113.595 -173.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 80.4 tttt 72.35 -50.75 0.7 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.555 1.942 . . . . 0.0 109.88 -168.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.0 mt -41.16 -51.87 3.39 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 125.237 1.415 . . . . 0.0 110.667 169.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -49.52 -40.1 36.67 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 177.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -81.01 -43.34 19.73 Favored 'General case' 0 CA--C 1.516 -0.346 0 O-C-N 121.518 -0.739 . . . . 0.0 112.193 -177.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.5 -46.94 57.44 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 170.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -59.51 -49.6 77.14 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 114.757 -1.111 . . . . 0.0 110.862 173.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.2 mp -63.53 -45.02 98.88 Favored 'Isoleucine or valine' 0 C--N 1.343 0.322 0 CA-C-N 120.873 1.669 . . . . 0.0 110.359 -174.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.8 t -55.85 -56.29 13.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 123.403 0.681 . . . . 0.0 109.54 178.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -56.2 -52.23 65.15 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 120.794 0.33 . . . . 0.0 110.674 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 79.0 mt -64.1 -49.88 70.49 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 118.994 -0.527 . . . . 0.0 110.609 -173.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.3 ptm -60.95 -41.98 97.34 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 119.195 0.907 . . . . 0.0 110.289 179.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -56.38 -54.48 45.02 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 117.831 0.287 . . . . 0.0 110.563 176.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -56.87 -48.38 78.25 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 121.133 0.492 . . . . 0.0 111.968 178.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 65.7 mt -76.27 -35.18 59.05 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.062 0.545 . . . . 0.0 112.235 -169.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -78.56 62.83 3.23 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 119.031 0.832 . . . . 0.0 111.926 -174.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 47.7 mtm-85 -74.91 64.5 1.31 Allowed 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 168.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 48.7 35.47 6.36 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.126 1.37 . . . . 0.0 111.471 -167.546 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -87.83 -13.79 41.22 Favored 'General case' 0 C--O 1.223 -0.318 0 C-N-CA 123.876 0.87 . . . . 0.0 111.547 -179.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -48.39 -23.95 1.09 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.099 0.96 . . . . 0.0 113.46 176.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -55.25 -59.48 4.73 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.236 1.014 . . . . 0.0 110.292 168.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -148.32 108.63 4.12 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.825 1.65 . . . . 0.0 110.652 171.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.9 t -92.36 127.31 44.64 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.102 0 N-CA-C 104.736 -2.32 . . . . 0.0 104.736 169.007 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -89.94 152.29 21.29 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 119.796 1.18 . . . . 0.0 110.461 -168.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -41.93 -44.06 3.3 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.966 0.907 . . . . 0.0 113.089 174.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -61.0 -37.85 83.99 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.23 -0.919 . . . . 0.0 111.01 178.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -67.41 -40.53 85.57 Favored 'General case' 0 N--CA 1.454 -0.275 0 O-C-N 121.452 -0.78 . . . . 0.0 109.764 173.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -56.75 -44.96 82.25 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.61 0.641 . . . . 0.0 110.634 173.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.47 -43.85 94.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 O-C-N 121.408 -0.807 . . . . 0.0 110.356 179.199 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.3 m -59.31 -43.91 92.59 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.767 -0.583 . . . . 0.0 109.457 177.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -53.98 -46.02 71.58 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.708 1.203 . . . . 0.0 110.53 170.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.55 -49.39 76.51 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 177.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -52.0 -55.69 20.05 Favored Glycine 0 N--CA 1.447 -0.571 0 CA-C-O 119.247 -0.752 . . . . 0.0 111.709 177.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.55 -55.48 28.81 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 117.789 0.795 . . . . 0.0 110.598 178.155 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.9 tp -53.8 -42.51 68.45 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.874 1.27 . . . . 0.0 111.041 -177.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.36 -65.28 0.75 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.167 0.587 . . . . 0.0 110.604 176.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 13.9 ptm -59.38 -26.92 65.51 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.82 0.848 . . . . 0.0 113.207 -168.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.0 tt -51.76 -31.84 13.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 CA-C-N 119.18 0.9 . . . . 0.0 111.136 174.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -72.29 14.59 0.22 Allowed 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.272 0.842 . . . . 0.0 113.272 177.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -30.83 -50.41 0.14 Allowed 'General case' 0 C--N 1.342 0.251 0 C-N-CA 127.121 2.168 . . . . 0.0 113.95 175.41 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -56.47 -38.29 71.49 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.123 0.569 . . . . 0.0 111.961 -176.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -81.89 -52.42 7.1 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 176.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 96.1 mt -54.11 -32.91 56.4 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.653 0.781 . . . . 0.0 112.194 -175.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -41.35 -44.41 2.76 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.425 1.49 . . . . 0.0 111.877 170.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.095 0 CA-C-O 117.294 -1.837 . . . . 0.0 111.71 -174.067 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 92.6 mtp . . . . . 0 N--CA 1.472 0.636 0 N-CA-C 110.787 -0.079 . . . . 0.0 110.787 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.83 -77.01 0.09 Allowed 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 122.615 0.366 . . . . 0.0 111.466 -169.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -62.47 144.56 95.42 Favored Pre-proline 0 CA--C 1.536 0.423 0 CA-C-O 118.866 -0.587 . . . . 0.0 109.892 -177.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -54.92 -47.68 25.3 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 122.683 2.256 . . . . 0.0 110.808 -177.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 88.6 mt -56.82 -39.98 75.17 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 122.85 0.46 . . . . 0.0 111.216 175.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -66.81 -49.08 66.95 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 122.058 -0.401 . . . . 0.0 110.066 -176.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -63.28 -33.92 76.56 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 119.78 -0.768 . . . . 0.0 111.473 173.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.38 -50.42 72.96 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 119.287 0.949 . . . . 0.0 110.317 177.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 78.7 mt -57.59 -46.83 86.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 174.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.15 -55.36 10.42 Favored Glycine 0 CA--C 1.529 0.958 0 C-N-CA 123.854 0.74 . . . . 0.0 111.597 175.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 7.3 mp -55.47 -56.05 24.72 Favored 'General case' 0 C--O 1.226 -0.175 0 C-N-CA 123.522 0.729 . . . . 0.0 109.553 175.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 24.4 tp -50.31 -56.44 11.26 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.184 0.447 . . . . 0.0 111.202 -176.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 47.1 mm -63.33 -50.17 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 C-N-CA 123.051 0.54 . . . . 0.0 109.895 -178.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.95 -49.57 61.92 Favored Glycine 0 CA--C 1.53 0.99 0 CA-C-N 118.68 0.673 . . . . 0.0 111.646 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 90.8 mt -57.56 -53.78 39.86 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 175.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -53.57 -44.43 69.31 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.812 -0.555 . . . . 0.0 111.654 -179.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -42.82 71.92 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.706 1.202 . . . . 0.0 110.836 175.019 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 51.3 tttm -55.8 -42.73 76.04 Favored 'General case' 0 C--N 1.34 0.169 0 CA-C-N 118.095 0.407 . . . . 0.0 109.919 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -72.1 -71.3 0.29 Allowed 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 174.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 37.9 p -51.91 -30.23 23.37 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.17 0.988 . . . . 0.0 113.495 -169.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -50.24 -42.84 41.99 Favored Glycine 0 CA--C 1.527 0.842 0 O-C-N 121.362 -0.836 . . . . 0.0 113.945 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 4.5 ptpp? -74.4 -33.51 63.03 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.561 1.18 . . . . 0.0 112.939 -169.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -164.75 30.4 0.07 Allowed 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.136 0.425 . . . . 0.0 111.606 -171.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.97 -11.32 84.82 Favored Glycine 0 CA--C 1.527 0.794 0 O-C-N 120.808 -1.183 . . . . 0.0 112.785 -173.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 25.7 t70 70.68 -63.32 0.41 Allowed 'General case' 0 C--N 1.339 0.132 0 C-N-CA 126.407 1.883 . . . . 0.0 109.891 -169.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.01 -154.84 0.66 Allowed 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 169.366 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -75.81 62.09 1.5 Allowed 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.836 0.827 . . . . 0.0 109.487 174.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 16.4 p -144.65 170.06 16.8 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 128.434 2.694 . . . . 0.0 105.29 -174.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 12.0 tp -118.71 141.11 48.92 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.195 0.998 . . . . 0.0 109.922 -169.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 78.6 p -121.2 162.45 20.14 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.176 0.99 . . . . 0.0 113.217 -176.155 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -44.46 -45.92 9.38 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.752 1.221 . . . . 0.0 112.788 178.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -55.78 -39.59 71.47 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 121.625 -0.672 . . . . 0.0 110.761 178.03 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -77.13 -30.82 55.35 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.673 0.789 . . . . 0.0 110.131 -178.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.93 -46.29 89.99 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 121.424 -0.797 . . . . 0.0 109.129 168.276 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -59.76 -41.09 90.26 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.308 -0.87 . . . . 0.0 110.756 175.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -53.75 -52.13 61.17 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.638 -0.664 . . . . 0.0 109.696 171.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 58.4 tp -55.34 -49.91 71.01 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.042 0.537 . . . . 0.0 110.934 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 95.7 mt -53.06 -54.27 17.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 176.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -56.88 -37.44 71.37 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 122.412 -0.18 . . . . 0.0 111.401 178.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -53.1 54.0 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.262 0.625 . . . . 0.0 111.084 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -69.2 -32.44 71.73 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 119.393 -0.337 . . . . 0.0 111.386 -179.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 41.9 tp -6.44 -90.68 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 128.372 2.669 . . . . 0.0 114.732 -168.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 32.8 m 68.41 -41.82 0.46 Allowed 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.878 1.671 . . . . 0.0 114.349 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . 0.375 35.6 pt 58.85 -65.3 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 128.136 2.574 . . . . 0.0 113.103 -169.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 34.96 -97.57 0.01 OUTLIER Glycine 0 CA--C 1.532 1.148 0 C-N-CA 126.442 1.972 . . . . 0.0 113.944 178.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.5 m -75.23 -2.77 29.53 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.855 1.662 . . . . 0.0 113.778 -174.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? 67.73 -60.87 0.38 Allowed 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 127.224 2.21 . . . . 0.0 111.983 -176.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 80.9 mt -49.78 -39.89 39.6 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.202 1.001 . . . . 0.0 111.154 178.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -49.62 -33.67 16.0 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 175.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -64.91 -37.42 87.57 Favored 'General case' 0 N--CA 1.455 -0.204 0 O-C-N 120.964 -1.085 . . . . 0.0 111.279 177.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.48 -40.73 87.89 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 173.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -62.85 -36.53 83.55 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 118.888 -0.577 . . . . 0.0 111.342 172.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 91.6 mt -64.17 -45.91 95.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-N 119.746 1.157 . . . . 0.0 109.184 176.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 77.5 t -59.01 -43.92 90.04 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 O-C-N 121.75 -0.594 . . . . 0.0 110.415 176.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 19.1 ttpp -56.68 -50.73 71.26 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.65 -0.656 . . . . 0.0 109.838 175.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 38.9 tp -59.5 -42.45 92.2 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 122.872 0.469 . . . . 0.0 110.707 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 2.2 ttp -55.64 -52.32 64.22 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.382 0.673 . . . . 0.0 109.794 172.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -55.33 -47.35 75.82 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 122.03 -0.418 . . . . 0.0 110.799 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -57.13 -53.12 61.67 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.825 0.85 . . . . 0.0 109.998 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 21.5 tp -53.77 -44.65 70.23 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 123.949 0.9 . . . . 0.0 110.908 175.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -68.84 -12.78 61.91 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 177.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 51.43 36.44 16.63 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 -168.031 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 76.8 -22.94 0.26 Allowed 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 128.575 2.75 . . . . 0.0 114.36 -175.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -78.47 67.89 4.35 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 120.973 -1.079 . . . . 0.0 110.949 -175.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -70.41 76.82 0.56 Allowed 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.552 -0.717 . . . . 0.0 110.935 179.251 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.49 -85.54 0.12 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 126.132 1.773 . . . . 0.0 108.192 178.257 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -138.62 138.11 37.56 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 106.53 -1.655 . . . . 0.0 106.53 168.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 34.5 m -139.25 158.21 28.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 124.661 1.184 . . . . 0.0 109.751 -171.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -93.32 153.32 18.62 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.054 0.542 . . . . 0.0 111.103 -169.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 93.6 t80 -45.45 -38.67 6.32 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.503 1.121 . . . . 0.0 113.131 173.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.0 tm0? -45.82 -42.78 12.72 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.134 -0.978 . . . . 0.0 111.241 172.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -73.69 -30.82 63.1 Favored 'General case' 0 N--CA 1.449 -0.507 0 O-C-N 121.456 -0.777 . . . . 0.0 109.859 -177.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -62.2 -46.36 89.23 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 121.67 -0.643 . . . . 0.0 110.352 169.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 23.9 mm -57.9 -47.22 86.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 O-C-N 122.022 -0.424 . . . . 0.0 109.948 173.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 23.5 m -56.8 -43.91 81.41 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 177.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -54.81 -50.39 68.68 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 124.04 0.936 . . . . 0.0 111.321 172.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 16.4 tp -55.41 -52.04 64.88 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 177.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -49.47 -59.38 7.21 Favored Glycine 0 C--N 1.336 0.53 0 C-N-CA 124.027 0.822 . . . . 0.0 111.693 177.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.47 -55.65 29.35 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 124.079 0.952 . . . . 0.0 110.34 -179.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 43.7 tp -57.06 -52.53 64.91 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.505 0.722 . . . . 0.0 110.657 -175.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.83 -47.45 85.65 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 122.057 -0.402 . . . . 0.0 111.192 178.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 28.6 ttt -62.91 -36.76 84.45 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 122.105 -0.372 . . . . 0.0 111.238 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 51.4 mt -62.15 -42.62 95.84 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 C-N-CA 124.172 0.989 . . . . 0.0 109.16 174.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -73.76 52.61 0.42 Allowed 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.727 0.775 . . . . 0.0 110.515 169.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -62.26 -48.53 79.49 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.675 0.79 . . . . 0.0 110.234 -169.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.65 -47.32 50.03 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.737 0.815 . . . . 0.0 111.738 177.179 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.76 -45.89 73.65 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 122.821 0.448 . . . . 0.0 110.324 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 34.7 tp -57.24 -32.22 66.34 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.331 0.653 . . . . 0.0 111.738 177.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 120.74 48.31 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 130.451 3.5 . . . . 0.0 111.218 169.091 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.117 0 CA-C-O 117.378 -1.79 . . . . 0.0 111.083 169.998 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.5 tpp . . . . . 0 N--CA 1.476 0.865 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.63 -29.72 27.66 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.548 1.139 . . . . 0.0 113.019 -177.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.3 p -144.73 163.53 33.0 Favored Pre-proline 0 N--CA 1.45 -0.47 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 170.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -51.86 -43.56 50.93 Favored 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 122.49 2.126 . . . . 0.0 111.308 169.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 11.0 mp -55.59 -55.09 36.05 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 175.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -63.17 -33.32 75.23 Favored 'General case' 0 C--O 1.226 -0.176 0 O-C-N 121.862 -0.524 . . . . 0.0 112.159 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -59.5 -49.58 77.22 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.701 0.682 . . . . 0.0 109.331 172.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.83 -52.96 61.11 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 122.777 0.431 . . . . 0.0 110.006 -176.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 78.0 mt -52.0 -52.97 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 175.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.87 -54.53 9.17 Favored Glycine 0 CA--C 1.525 0.718 0 C-N-CA 125.164 1.364 . . . . 0.0 111.743 177.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 36.6 mt -59.35 -49.9 76.03 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 117.548 0.674 . . . . 0.0 110.742 178.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.9 mt -57.43 -55.51 33.82 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 123.302 0.641 . . . . 0.0 111.465 -178.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.5 pt -66.72 -33.49 63.8 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.362 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.11 -60.36 9.06 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 175.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.8 tt -63.2 -34.55 67.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 118.074 0.937 . . . . 0.0 110.518 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -56.15 -50.55 70.82 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.679 -0.638 . . . . 0.0 111.37 173.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -60.27 -35.71 76.16 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 124.286 1.034 . . . . 0.0 109.495 176.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -60.68 -55.3 34.87 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.467 0.576 . . . . 0.0 109.55 176.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -54.8 -57.15 12.72 Favored 'General case' 0 C--N 1.34 0.166 0 CA-C-O 121.023 0.44 . . . . 0.0 110.27 177.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.6 t -51.49 -37.26 48.2 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.237 0.615 . . . . 0.0 111.062 178.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.15 -34.85 53.61 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 124.716 1.151 . . . . 0.0 112.71 175.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -74.63 61.36 0.96 Allowed 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.613 1.206 . . . . 0.0 110.599 178.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 54.74 34.16 21.14 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.231 1.413 . . . . 0.0 112.546 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.99 -42.32 5.36 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 108.463 -1.855 . . . . 0.0 108.463 168.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.2 t70 70.11 -64.95 0.34 Allowed 'General case' 0 C--N 1.34 0.187 0 C-N-CA 127.093 2.157 . . . . 0.0 111.981 173.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -73.18 154.41 40.3 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 174.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -77.71 65.09 3.12 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 122.099 0.952 . . . . 0.0 110.106 -177.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 58.5 p -138.05 159.46 41.97 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 105.978 -1.86 . . . . 0.0 105.978 172.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.0 mt -94.47 122.82 37.44 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 106.364 -1.717 . . . . 0.0 106.364 169.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.6 t -93.75 173.17 7.81 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.814 0.845 . . . . 0.0 109.806 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.6 mttp -37.65 -58.75 0.86 Allowed 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 126.988 2.115 . . . . 0.0 111.277 -177.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -59.65 -38.97 82.87 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.955 0.902 . . . . 0.0 112.085 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -69.83 -43.31 72.24 Favored 'General case' 0 N--CA 1.455 -0.195 0 O-C-N 121.467 -0.77 . . . . 0.0 109.932 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 54.3 tp -57.96 -46.97 84.28 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 173.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -54.75 -51.86 64.35 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.543 0.337 . . . . 0.0 110.361 175.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -53.0 -50.86 63.34 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.273 0.488 . . . . 0.0 110.556 177.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.1 tp -55.28 -55.51 30.62 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 122.251 -0.281 . . . . 0.0 110.296 178.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 71.4 mt -52.8 -47.18 51.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 C-N-CA 123.749 0.82 . . . . 0.0 110.297 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -58.26 -49.35 77.43 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.576 1.15 . . . . 0.0 110.4 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -64.97 -44.67 88.59 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 122.534 0.334 . . . . 0.0 111.323 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -56.81 -33.9 67.16 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 117.908 0.322 . . . . 0.0 110.767 172.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.9 tp 61.99 48.93 4.88 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 124.932 1.293 . . . . 0.0 109.839 173.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.7 t -72.59 71.13 0.96 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.606 0.762 . . . . 0.0 110.447 178.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.8 tt -53.29 147.29 2.33 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 168.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -57.13 66.6 0.01 OUTLIER Glycine 0 CA--C 1.533 1.209 0 C-N-CA 126.897 2.189 . . . . 0.0 115.793 -169.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.8 m -84.57 63.77 8.08 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 126.984 2.113 . . . . 0.0 107.444 179.086 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? 4.15 -83.44 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 129.595 3.158 . . . . 0.0 114.919 -176.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.57 -50.05 72.84 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.727 0.411 . . . . 0.0 110.188 -173.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -57.1 -44.95 83.68 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 177.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.51 -35.97 82.69 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 119.749 -0.78 . . . . 0.0 111.91 177.111 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.63 -42.95 79.72 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 119.38 0.991 . . . . 0.0 109.462 171.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -62.35 -36.1 81.17 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 118.692 -0.671 . . . . 0.0 111.809 171.278 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 41.4 mm -62.11 -43.46 97.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 CA-C-N 119.994 1.27 . . . . 0.0 110.282 173.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 79.8 t -60.66 -45.52 97.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 O-C-N 121.476 -0.765 . . . . 0.0 109.929 176.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -55.75 -49.02 74.23 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.92 -0.487 . . . . 0.0 110.248 175.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.4 tp -57.51 -51.61 68.76 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.378 0.671 . . . . 0.0 110.176 177.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 27.4 ttt -49.91 -53.74 24.11 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.78 0.832 . . . . 0.0 109.652 177.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -58.39 -50.45 73.64 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 122.64 0.376 . . . . 0.0 111.405 177.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -53.63 -42.15 67.48 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.882 0.873 . . . . 0.0 111.753 -178.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.3 mt -77.25 -64.06 1.23 Allowed 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.296 0.569 . . . . 0.0 110.039 176.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -78.27 73.28 4.83 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.334 1.054 . . . . 0.0 109.317 178.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 84.1 mtm-85 -73.34 69.16 1.12 Allowed 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 174.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 56.58 40.34 29.44 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.546 1.538 . . . . 0.0 111.113 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -82.17 60.22 4.83 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 174.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.1 t70 56.61 -85.6 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.48 1.512 . . . . 0.0 109.4 -168.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -158.03 32.5 0.25 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.649 1.179 . . . . 0.0 109.158 169.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -106.94 170.58 7.86 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 125.482 1.513 . . . . 0.0 107.465 -178.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 81.1 t -126.06 131.28 71.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 106.358 -1.719 . . . . 0.0 106.358 169.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -93.16 152.13 19.42 Favored 'General case' 0 CA--C 1.53 0.201 0 O-C-N 121.641 -0.662 . . . . 0.0 109.586 -174.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -45.6 -43.09 11.95 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 174.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.08 -47.95 44.63 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.81 0.814 . . . . 0.0 110.195 173.608 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -70.95 -34.65 71.67 Favored 'General case' 0 N--CA 1.447 -0.59 0 O-C-N 121.804 -0.56 . . . . 0.0 110.819 -177.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -58.98 -48.98 79.63 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 118.897 0.771 . . . . 0.0 110.686 170.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 40.3 mm -55.72 -53.86 32.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 O-C-N 121.881 -0.512 . . . . 0.0 110.123 174.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 21.1 m -57.27 -38.32 73.72 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 121.942 -0.474 . . . . 0.0 110.403 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -63.55 -42.42 98.39 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 125.175 1.39 . . . . 0.0 110.526 177.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.7 tt -53.9 -50.04 67.24 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 172.128 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.94 -57.14 9.02 Favored Glycine 0 CA--C 1.527 0.787 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.753 172.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.35 -48.97 70.83 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.356 1.063 . . . . 0.0 111.773 -178.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 80.5 mt -54.25 -58.81 5.97 Favored 'General case' 0 CA--C 1.528 0.12 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 177.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.65 -43.41 76.24 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 27.5 ttp -62.36 -14.16 36.93 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 125.503 1.521 . . . . 0.0 113.093 -173.078 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.7 tp -58.84 -35.68 57.39 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-N 119.101 0.864 . . . . 0.0 109.787 169.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 64.9 -50.87 0.33 Allowed 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 128.349 2.66 . . . . 0.0 115.042 176.219 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -44.84 119.88 2.12 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 119.288 0.949 . . . . 0.0 111.407 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 67.61 -63.49 0.3 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.965 1.706 . . . . 0.0 111.752 -171.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.67 -49.92 3.05 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 125.733 1.613 . . . . 0.0 112.859 -175.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 38.1 tp -54.55 -29.36 50.7 Favored 'General case' 0 C--O 1.225 -0.206 0 C-N-CA 123.885 0.874 . . . . 0.0 112.326 -175.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -53.31 -41.91 66.15 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.872 0.76 . . . . 0.0 110.922 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.207 0 CA-C-O 116.996 -2.002 . . . . 0.0 112.424 179.841 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.3 mmt . . . . . 0 N--CA 1.475 0.783 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.62 50.18 0.8 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.527 0.731 . . . . 0.0 111.342 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.2 159.69 55.27 Favored Pre-proline 0 CA--C 1.537 0.445 0 C-N-CA 123.722 0.809 . . . . 0.0 108.844 171.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -50.56 -49.59 16.18 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 123.469 2.779 . . . . 0.0 112.241 -175.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.448 HD22 ' H ' ' B' ' 5' ' ' LEU . 3.2 mm? -52.16 -53.51 42.16 Favored 'General case' 0 C--O 1.226 -0.18 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 175.534 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -63.69 -49.35 73.49 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 122.648 0.379 . . . . 0.0 110.852 -172.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -53.14 -48.21 68.1 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.086 0.554 . . . . 0.0 109.518 175.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.18 -57.17 6.46 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 120.827 0.346 . . . . 0.0 110.61 -172.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 91.6 mt -53.27 -50.41 47.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 124.231 1.012 . . . . 0.0 108.521 177.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.75 -57.75 10.33 Favored Glycine 0 CA--C 1.524 0.644 0 C-N-CA 124.4 1.0 . . . . 0.0 111.473 178.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 71.7 mt -54.9 -55.26 32.45 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 117.314 0.557 . . . . 0.0 110.391 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 44.5 mt -55.78 -57.87 10.21 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 122.445 0.298 . . . . 0.0 111.028 -176.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.431 HD12 ' HA ' ' B' ' 13' ' ' ILE . 8.6 tp -66.11 -40.87 88.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 O-C-N 122.236 -0.29 . . . . 0.0 110.381 -174.184 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.07 -59.15 11.15 Favored Glycine 0 C--N 1.337 0.613 0 N-CA-C 110.281 -1.127 . . . . 0.0 110.281 175.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 88.1 mt -53.38 -48.8 56.22 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 O-C-N 122.197 -0.59 . . . . 0.0 109.439 178.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -56.68 -46.2 81.31 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -58.89 -47.58 84.44 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.113 0.565 . . . . 0.0 110.156 175.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 56.7 mttm -65.76 -45.45 82.49 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.061 0.458 . . . . 0.0 109.913 -171.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -80.59 -82.44 0.12 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.513 177.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.46 -39.78 81.3 Favored 'General case' 0 N--CA 1.449 -0.483 0 O-C-N 120.875 -1.141 . . . . 0.0 111.484 -169.062 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.92 -62.88 5.87 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 178.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.21 -42.44 99.29 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 117.455 0.628 . . . . 0.0 111.607 -177.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -86.05 -51.45 6.32 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.218 0.463 . . . . 0.0 112.035 -170.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.2 -36.78 9.57 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 124.167 0.889 . . . . 0.0 111.838 -175.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 7.9 t70 60.48 -157.69 0.33 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.678 1.191 . . . . 0.0 109.384 -171.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? 39.12 32.76 0.07 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 127.033 2.133 . . . . 0.0 113.852 -176.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 44.3 m80 39.98 47.64 1.97 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.087 1.355 . . . . 0.0 112.29 -170.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 5.8 t -144.05 160.37 41.0 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 122.739 1.257 . . . . 0.0 111.993 -171.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 9.2 mp -101.71 165.41 11.23 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 127.686 2.394 . . . . 0.0 105.044 165.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 79.3 p -130.12 170.03 14.57 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 126.816 2.046 . . . . 0.0 106.093 169.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 33.6 tttp -54.42 -39.87 67.76 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 171.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -60.11 -58.96 6.29 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.847 0.859 . . . . 0.0 110.59 177.116 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -56.05 -43.88 78.33 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 118.196 0.453 . . . . 0.0 110.584 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 57.4 tp -59.24 -52.35 66.03 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.27 0.628 . . . . 0.0 109.904 -179.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -52.56 -53.97 39.2 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 124.212 1.005 . . . . 0.0 110.042 176.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -54.51 -53.39 55.06 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 122.845 0.458 . . . . 0.0 110.589 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 55.5 tp -54.97 -56.94 14.06 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 97.7 mt -59.19 -48.32 87.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -174.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.42 -43.75 79.72 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 118.363 0.529 . . . . 0.0 110.628 178.138 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -62.78 -46.56 87.43 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 122.544 0.338 . . . . 0.0 110.757 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -62.83 -38.35 90.39 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 122.33 -0.231 . . . . 0.0 111.216 175.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 32.4 tp -117.9 68.81 0.77 Allowed 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 125.39 1.476 . . . . 0.0 109.531 -168.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 13.5 p -66.89 -62.4 1.46 Allowed 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 174.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 19.8 tt -61.65 158.68 2.72 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 C-N-CA 123.57 0.748 . . . . 0.0 109.237 169.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.04 -44.06 2.95 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 121.067 -1.02 . . . . 0.0 112.912 174.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 50.8 p -21.01 -65.0 0.03 OUTLIER 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 128.144 2.577 . . . . 0.0 113.447 178.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -40.41 -43.66 1.84 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.429 1.492 . . . . 0.0 112.92 -178.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -90.69 -56.34 3.22 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.636 0.774 . . . . 0.0 109.194 175.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -53.99 -26.77 27.72 Favored 'General case' 0 C--O 1.225 -0.202 0 C-N-CA 124.153 0.981 . . . . 0.0 113.127 -171.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -59.74 -24.32 63.93 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 119.67 1.123 . . . . 0.0 112.261 178.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.19 -36.41 65.87 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 118.824 0.738 . . . . 0.0 110.657 169.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -80.27 -47.29 14.79 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.926 1.29 . . . . 0.0 109.54 172.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 18.7 mm -62.96 -37.8 80.26 Favored 'Isoleucine or valine' 0 C--N 1.343 0.293 0 C-N-CA 120.002 -0.679 . . . . 0.0 110.937 -170.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.1 p -56.78 -43.98 80.82 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 119.146 0.885 . . . . 0.0 110.743 176.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -63.1 -49.22 75.32 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 176.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 51.3 tp -54.49 -50.32 68.08 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.203 0.456 . . . . 0.0 110.878 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 70.0 mtm -57.2 -49.25 76.59 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.213 0.605 . . . . 0.0 110.478 176.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -56.77 -45.52 82.04 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.422 0.555 . . . . 0.0 111.44 178.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -61.24 -47.87 84.07 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.564 0.746 . . . . 0.0 110.227 -178.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 56.2 mt -69.31 -61.01 1.96 Allowed 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 120.755 0.312 . . . . 0.0 110.347 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -78.19 56.69 1.71 Allowed 'General case' 0 C--O 1.233 0.197 0 C-N-CA 123.919 0.888 . . . . 0.0 109.921 176.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.08 80.65 1.73 Allowed 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 106.907 -1.516 . . . . 0.0 106.907 175.107 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 19.2 m-20 84.96 -35.05 0.05 Allowed 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 126.775 2.03 . . . . 0.0 110.78 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -72.9 52.05 0.3 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.642 1.177 . . . . 0.0 112.516 -178.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -49.98 -37.75 33.82 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.877 1.271 . . . . 0.0 113.278 -171.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -103.3 -5.8 22.66 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.578 0.751 . . . . 0.0 112.043 -177.421 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -132.83 67.86 1.52 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.305 0.957 . . . . 0.0 113.448 -167.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 78.5 t -98.17 97.43 6.11 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 N-CA-C 103.522 -2.769 . . . . 0.0 103.522 166.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -87.22 158.62 19.07 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-O 121.209 0.528 . . . . 0.0 112.131 -164.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -39.87 -49.2 2.39 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.208 1.403 . . . . 0.0 113.446 176.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 27.5 mm100 -64.85 -31.0 72.03 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 120.84 -1.162 . . . . 0.0 111.836 178.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -70.28 -37.94 74.95 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.23 -0.919 . . . . 0.0 109.84 172.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -59.58 -46.14 89.81 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.808 0.731 . . . . 0.0 110.095 172.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 16.6 mm -55.81 -50.67 66.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 O-C-N 121.717 -0.614 . . . . 0.0 110.339 173.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 28.8 m -56.46 -40.8 75.44 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.602 -0.686 . . . . 0.0 110.234 177.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -63.11 -38.52 91.49 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.062 0.545 . . . . 0.0 111.313 175.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 tt -55.21 -51.42 66.62 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 170.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.15 -53.07 16.09 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 123.398 0.523 . . . . 0.0 111.969 174.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.51 -47.77 84.23 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 117.64 0.72 . . . . 0.0 111.566 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 35.0 tp -59.42 -45.85 90.38 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.135 0.974 . . . . 0.0 109.918 -178.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.35 -52.55 65.13 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 171.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 17.1 tmm? -50.89 -48.72 60.32 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 123.85 0.86 . . . . 0.0 111.32 -177.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 44.7 pt -65.32 -19.44 25.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 118.952 0.796 . . . . 0.0 112.963 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 12.2 m-30 -70.76 -13.62 62.12 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 119.566 1.076 . . . . 0.0 111.235 170.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 38.4 t30 34.64 -73.89 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 130.198 3.399 . . . . 0.0 116.227 168.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.418 ' CD ' ' H ' ' B' ' 86' ' ' GLU . 23.7 mp0 -52.09 -41.91 62.79 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.755 0.822 . . . . 0.0 109.638 176.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.9 -31.59 50.47 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.469 0.708 . . . . 0.0 112.219 176.278 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 14.5 mt -98.24 16.72 20.54 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.211 1.004 . . . . 0.0 111.143 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt 54.85 39.79 31.64 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.76 0.824 . . . . 0.0 111.22 -171.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.144 0 CA-C-O 117.357 -1.802 . . . . 0.0 110.184 -177.557 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.8 mtp . . . . . 0 N--CA 1.473 0.712 0 CA-C-O 120.615 0.245 . . . . 0.0 110.608 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.32 -35.25 79.76 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.207 0.603 . . . . 0.0 111.906 -176.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -170.86 165.84 4.82 Favored Pre-proline 0 CA--C 1.534 0.345 0 C-N-CA 125.762 1.625 . . . . 0.0 107.608 -177.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_exo -46.6 -50.25 10.78 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 123.813 3.009 . . . . 0.0 114.162 -174.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.9 tp -59.42 -42.93 92.98 Favored 'General case' 0 CA--C 1.528 0.116 0 O-C-N 121.683 -0.636 . . . . 0.0 110.714 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -64.86 -41.04 96.01 Favored 'General case' 0 N--CA 1.455 -0.201 0 O-C-N 121.918 -0.489 . . . . 0.0 110.679 178.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -58.11 -44.54 87.75 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 122.244 -0.285 . . . . 0.0 110.311 172.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.13 -51.32 66.98 Favored 'General case' 0 N--CA 1.457 -0.099 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -177.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 86.5 mt -51.72 -51.23 28.31 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.205 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 173.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.65 -52.8 19.1 Favored Glycine 0 CA--C 1.529 0.964 0 C-N-CA 124.332 0.968 . . . . 0.0 111.905 176.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -57.18 -55.81 29.86 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.7 mp -51.8 -60.63 2.95 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.914 0.886 . . . . 0.0 111.442 -178.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 pp -58.96 -43.67 89.26 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.141 0 CA-C-N 118.177 0.444 . . . . 0.0 110.022 -177.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.66 -60.93 8.1 Favored Glycine 0 C--N 1.338 0.646 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 -179.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 16.1 tt -62.96 -41.31 92.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.229 -177.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -62.19 -41.87 98.76 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 118.594 0.633 . . . . 0.0 111.681 -178.051 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -59.0 -44.1 91.61 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 122.961 0.504 . . . . 0.0 110.625 173.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -65.88 -62.58 1.42 Allowed 'General case' 0 CA--C 1.528 0.129 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -178.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -51.85 -81.43 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 127.273 2.229 . . . . 0.0 110.463 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.86 70.08 8.69 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.175 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 178.36 -62.17 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.429 0 N-CA-C 111.415 -0.674 . . . . 0.0 111.415 174.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.61 -39.52 14.02 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -114.64 31.57 6.55 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.632 1.173 . . . . 0.0 110.657 -173.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.46 175.91 37.14 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 109.188 -1.565 . . . . 0.0 109.188 -171.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -63.75 151.0 43.28 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.584 0.753 . . . . 0.0 110.997 -172.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.2 94.43 0.15 Allowed 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 125.329 1.451 . . . . 0.0 111.654 -168.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 59.04 35.68 24.04 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 126.013 1.725 . . . . 0.0 111.68 170.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.4 t -145.15 141.61 28.9 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 177.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 tt -111.13 129.81 55.82 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 125.876 1.671 . . . . 0.0 107.753 -173.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.6 t -145.27 174.7 10.87 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 126.792 2.037 . . . . 0.0 108.593 -178.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.46 -33.43 9.34 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.973 0.909 . . . . 0.0 112.386 178.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -55.72 -55.39 32.87 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.055 0.942 . . . . 0.0 110.129 173.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.2 mp0 -65.95 -39.72 90.71 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.291 0.637 . . . . 0.0 109.479 -177.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.97 -55.56 31.29 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 174.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -50.97 -54.9 20.33 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.612 1.165 . . . . 0.0 109.81 178.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -57.08 -43.2 81.92 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 117.902 0.319 . . . . 0.0 111.656 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.4 tp -59.46 -54.98 40.38 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 118.323 0.511 . . . . 0.0 110.773 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 36.6 pt -64.66 -39.39 85.46 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.235 0 C-N-CA 120.029 -0.668 . . . . 0.0 110.442 -178.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -54.76 -49.05 71.8 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 121.589 -0.694 . . . . 0.0 110.355 175.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -66.53 -54.58 22.16 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.092 0.557 . . . . 0.0 111.306 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -92.0 7.56 41.65 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -169.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 42.3 tp 69.1 -53.15 0.58 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.956 1.702 . . . . 0.0 111.233 -169.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.6 t -156.13 148.04 23.11 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 125.753 1.621 . . . . 0.0 106.625 176.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 tp -77.98 54.44 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 170.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.21 -80.53 0.07 OUTLIER Glycine 0 CA--C 1.529 0.941 0 N-CA-C 108.446 -1.862 . . . . 0.0 108.446 -167.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.9 m 74.03 -46.72 0.63 Allowed 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 128.202 2.601 . . . . 0.0 113.542 169.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.9 mtmm 64.26 -72.78 0.06 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 126.239 1.816 . . . . 0.0 109.702 -170.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 67.3 mt -80.8 61.8 4.58 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 176.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -36.92 -65.92 0.26 Allowed 'General case' 0 C--O 1.226 -0.142 0 C-N-CA 125.707 1.603 . . . . 0.0 113.4 -169.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -67.38 -43.24 81.85 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -172.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -49.93 -46.0 51.67 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 173.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -64.15 -43.56 94.82 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 117.031 -1.461 . . . . 0.0 112.033 174.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.6 pt -62.68 -45.39 98.95 Favored 'Isoleucine or valine' 0 C--N 1.346 0.428 0 CA-C-N 121.935 2.152 . . . . 0.0 110.569 -177.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.9 p -66.62 -42.82 90.4 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.623 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 65.8 tttp -57.97 -49.17 77.71 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 118.318 0.508 . . . . 0.0 110.461 176.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.1 mt -63.26 -48.07 79.73 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 122.777 0.431 . . . . 0.0 109.92 -178.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -51.31 -50.35 59.54 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.545 0.611 . . . . 0.0 110.127 173.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -59.66 -51.02 71.58 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 120.592 0.234 . . . . 0.0 111.053 -178.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -55.94 -50.26 71.23 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.666 0.787 . . . . 0.0 111.587 178.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 51.0 mt -79.91 -47.75 14.54 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.298 0.639 . . . . 0.0 111.995 -169.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -118.18 -31.52 4.98 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 124.207 1.003 . . . . 0.0 112.705 -169.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.42 -62.83 0.43 Allowed 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 124.147 0.979 . . . . 0.0 111.353 175.373 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -134.96 -68.13 0.54 Allowed 'General case' 0 N--CA 1.457 -0.099 0 C-N-CA 123.888 0.875 . . . . 0.0 110.398 -177.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -151.5 160.6 43.63 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 32.77 56.22 0.42 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 127.252 2.221 . . . . 0.0 115.679 169.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -135.95 147.16 47.95 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 168.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -142.5 150.13 40.08 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 105.941 -1.874 . . . . 0.0 105.941 -178.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 6.0 m -110.11 147.45 14.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 176.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -90.63 166.63 13.07 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.239 -0.913 . . . . 0.0 109.6 -169.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -37.94 -49.45 1.24 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.508 1.123 . . . . 0.0 113.442 173.195 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -58.68 -37.23 75.59 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.535 1.061 . . . . 0.0 111.242 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -73.97 -34.03 64.08 Favored 'General case' 0 N--CA 1.452 -0.36 0 O-C-N 121.338 -0.852 . . . . 0.0 111.165 176.251 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -52.66 -53.43 47.31 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 119.29 0.95 . . . . 0.0 109.502 171.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -51.28 74.48 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.289 0 C-N-CA 119.289 -0.964 . . . . 0.0 110.19 175.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.9 m -49.26 -44.63 43.94 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.155 0.889 . . . . 0.0 111.465 -179.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -61.5 -47.49 85.38 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.473 1.109 . . . . 0.0 110.519 176.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.3 tt -48.2 -52.35 21.3 Favored 'General case' 0 C--N 1.342 0.268 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 172.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.67 -52.41 45.86 Favored Glycine 0 C--O 1.225 -0.463 0 CA-C-O 119.367 -0.685 . . . . 0.0 111.72 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.34 -54.71 43.73 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 118.395 1.098 . . . . 0.0 110.821 178.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -54.11 -42.52 69.53 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 125.916 1.686 . . . . 0.0 110.791 -177.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.95 -47.44 45.45 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.848 0.859 . . . . 0.0 111.223 178.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 27.5 ttt -67.44 -41.48 84.69 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 123.632 0.773 . . . . 0.0 111.938 -169.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 18.4 tt -39.42 -42.96 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 C-N-CA 124.797 1.239 . . . . 0.0 114.284 -169.317 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -57.71 -41.91 82.69 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.893 -0.505 . . . . 0.0 111.805 -179.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 60.18 -69.18 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 127.159 2.184 . . . . 0.0 112.727 -179.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -50.75 -41.88 56.99 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 124.646 1.178 . . . . 0.0 110.934 179.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.15 -31.07 68.64 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 178.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 61.7 mt -75.03 -44.28 48.79 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 177.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -65.41 -44.96 85.8 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 122.485 0.314 . . . . 0.0 110.695 -178.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.207 0 CA-C-O 116.579 -2.234 . . . . 0.0 109.286 175.412 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 49.4 ttp . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 68.39 -65.12 0.28 Allowed 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 126.322 1.849 . . . . 0.0 112.013 -178.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 19.9 m 40.76 60.8 7.41 Favored Pre-proline 0 CA--C 1.537 0.48 0 C-N-CA 125.123 1.369 . . . . 0.0 113.586 178.104 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -54.77 -40.22 85.88 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 123.104 2.536 . . . . 0.0 111.782 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -57.45 -37.81 73.45 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.572 -0.705 . . . . 0.0 112.156 173.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -68.87 -42.45 77.02 Favored 'General case' 0 N--CA 1.457 -0.088 0 O-C-N 121.386 -0.821 . . . . 0.0 110.037 177.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -54.41 -44.53 72.43 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 171.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.14 -43.98 96.84 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.036 0.535 . . . . 0.0 111.194 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 84.9 mt -54.51 -48.14 70.38 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 171.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.05 -55.43 11.87 Favored Glycine 0 CA--C 1.529 0.939 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 173.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 96.0 mt -56.9 -46.73 81.72 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 117.56 0.68 . . . . 0.0 111.061 177.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 34.8 tp -59.08 -47.52 84.94 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.238 0.615 . . . . 0.0 110.624 -178.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 92.3 mt -58.06 -48.68 83.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 173.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -44.45 -61.56 3.19 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 124.638 1.114 . . . . 0.0 111.029 175.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 68.6 mt -54.67 -62.32 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 124.389 1.076 . . . . 0.0 109.416 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -56.73 -54.58 44.58 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -169.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -62.17 -30.83 71.33 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-O 119.484 -0.293 . . . . 0.0 110.728 -175.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -62.48 -50.63 70.65 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.409 0.55 . . . . 0.0 109.793 -178.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -70.17 -58.24 4.02 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 177.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 88.3 p -61.42 -23.15 65.63 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -174.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.19 -31.19 33.52 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 124.79 1.186 . . . . 0.0 112.493 171.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -76.11 60.71 1.48 Allowed 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.773 1.286 . . . . 0.0 109.784 174.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 161.94 -63.18 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 128.748 2.819 . . . . 0.0 105.407 -169.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.47 -66.44 1.3 Allowed Glycine 0 CA--C 1.527 0.841 0 C-N-CA 124.644 1.116 . . . . 0.0 112.891 169.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -41.63 -56.78 2.49 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.658 1.583 . . . . 0.0 113.301 -169.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 27.5 mtmm -100.05 17.9 19.92 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 118.819 -0.61 . . . . 0.0 111.867 -177.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 20.21 78.05 0.01 OUTLIER 'General case' 0 C--N 1.345 0.393 0 C-N-CA 127.097 2.159 . . . . 0.0 112.9 -168.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 8.5 t -141.33 149.45 41.2 Favored 'General case' 0 N--CA 1.436 -1.143 0 CA-C-N 114.151 -1.386 . . . . 0.0 108.013 -172.006 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 65.8 mt -92.5 104.7 16.99 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 105.448 -2.056 . . . . 0.0 105.448 169.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.35 170.89 9.42 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 106.851 -1.537 . . . . 0.0 106.851 170.331 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -41.73 -52.76 3.83 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.186 0.994 . . . . 0.0 113.358 -169.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.37 -55.74 28.08 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 121.063 0.459 . . . . 0.0 110.797 -179.179 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -60.02 -44.99 94.24 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.992 0.917 . . . . 0.0 110.318 -177.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 8.5 tt -56.81 -56.47 21.17 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.446 1.098 . . . . 0.0 109.686 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -53.57 -50.36 65.74 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.614 0.766 . . . . 0.0 110.141 177.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -53.59 -50.62 65.23 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 122.73 0.412 . . . . 0.0 110.143 178.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.7 tt -55.36 -56.88 15.05 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.107 0.563 . . . . 0.0 110.677 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 36.6 pt -64.52 -30.75 51.09 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 C-N-CA 120.016 -0.674 . . . . 0.0 112.054 -176.131 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -65.4 -61.89 1.85 Allowed 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 118.513 0.597 . . . . 0.0 110.39 172.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -56.66 -49.03 76.24 Favored 'General case' 0 N--CA 1.46 0.065 0 C-N-CA 123.28 0.632 . . . . 0.0 111.258 -176.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -79.61 9.78 4.65 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 178.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 22.2 tp 50.4 64.82 1.65 Allowed 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 125.846 1.659 . . . . 0.0 112.578 167.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 3.1 t -136.71 57.45 1.77 Allowed 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 169.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 36.8 pt -120.76 160.7 21.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 125.573 1.549 . . . . 0.0 108.994 169.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 56.99 -139.69 45.74 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 -173.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 3.3 m 70.43 -33.83 0.27 Allowed 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 115.815 1.783 . . . . 0.0 115.815 168.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? 67.13 -70.13 0.12 Allowed 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 126.676 1.99 . . . . 0.0 110.867 -175.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 66.8 tp -54.2 133.03 44.4 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 177.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 72.63 -58.76 0.59 Allowed 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 125.356 1.463 . . . . 0.0 110.698 -179.448 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.21 -32.62 74.16 Favored 'General case' 0 N--CA 1.445 -0.711 0 O-C-N 121.589 -0.695 . . . . 0.0 110.793 -170.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.08 -42.97 69.92 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-N 118.448 0.567 . . . . 0.0 109.964 170.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -64.92 -43.03 94.14 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 118.679 -0.677 . . . . 0.0 109.632 175.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 19.6 mm -56.78 -56.71 12.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 119.329 -0.949 . . . . 0.0 110.432 178.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 70.9 t -56.56 -48.84 79.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 124.209 1.004 . . . . 0.0 110.068 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 24.5 ttpp -56.96 -53.25 60.16 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 117.966 0.348 . . . . 0.0 110.787 179.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 62.8 mt -62.3 -46.2 89.82 Favored 'General case' 0 CA--C 1.531 0.22 0 O-C-N 122.261 -0.275 . . . . 0.0 110.453 -177.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 50.5 mtt -56.35 -52.08 65.91 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 117.815 0.28 . . . . 0.0 110.388 175.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -56.27 -53.55 55.96 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 122.815 0.446 . . . . 0.0 110.846 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -51.64 -50.46 60.28 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 123.3 0.64 . . . . 0.0 110.573 177.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 24.4 tp -61.96 -36.89 82.76 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 122.112 -0.367 . . . . 0.0 111.034 179.051 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -80.08 18.14 0.89 Allowed 'General case' 0 C--O 1.232 0.132 0 C-N-CA 124.336 1.054 . . . . 0.0 112.977 171.039 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 78.0 mtm180 69.54 -63.46 0.38 Allowed 'General case' 0 C--N 1.34 0.193 0 C-N-CA 127.499 2.32 . . . . 0.0 110.788 172.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -163.08 69.59 0.23 Allowed 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 125.71 1.604 . . . . 0.0 107.097 175.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 7.3 mptt 50.62 36.08 13.08 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.433 1.093 . . . . 0.0 111.917 -176.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -148.71 57.06 1.04 Allowed 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 118.859 0.754 . . . . 0.0 111.488 -170.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -158.19 -178.07 7.02 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 106.597 -1.631 . . . . 0.0 106.597 169.54 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -123.47 146.21 48.23 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 103.444 -2.799 . . . . 0.0 103.444 168.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 72.4 t -95.59 113.87 30.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 -175.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -86.54 158.42 19.53 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 120.2 1.364 . . . . 0.0 107.53 -175.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -41.42 -48.02 3.72 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.761 1.022 . . . . 0.0 113.761 -176.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -66.59 -33.45 75.7 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.035 -1.04 . . . . 0.0 111.237 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -68.39 -41.27 80.74 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 120.874 -1.141 . . . . 0.0 110.273 174.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -57.8 -45.34 86.23 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 124.018 0.927 . . . . 0.0 109.944 174.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 5.7 mm -60.44 -50.26 81.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 123.0 0.52 . . . . 0.0 110.274 175.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 28.6 m -56.78 -40.73 76.4 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.766 -0.584 . . . . 0.0 110.046 176.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -59.64 -42.99 94.02 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 124.809 1.244 . . . . 0.0 110.772 174.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.9 tt -56.15 -51.9 66.28 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 174.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.16 -50.68 33.18 Favored Glycine 0 C--N 1.336 0.551 0 C-N-CA 123.411 0.529 . . . . 0.0 112.904 175.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.66 -53.39 55.28 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.48 0.712 . . . . 0.0 109.548 -177.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 56.7 tp -53.35 -51.78 61.33 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 124.964 1.306 . . . . 0.0 110.263 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.74 -49.5 75.04 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.083 0.553 . . . . 0.0 110.762 176.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 49.8 ttp -59.69 -35.05 73.71 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 122.976 0.511 . . . . 0.0 112.03 177.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.4 mp -72.09 -43.91 66.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 C-N-CA 124.76 1.224 . . . . 0.0 110.251 178.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -53.52 -45.85 69.92 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 169.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 68.83 -71.37 0.12 Allowed 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.834 1.654 . . . . 0.0 113.124 168.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -54.67 -36.84 65.03 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.733 0.813 . . . . 0.0 110.575 -176.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.85 -46.21 51.13 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.547 1.139 . . . . 0.0 111.517 173.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -82.78 -53.07 6.18 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.671 0.788 . . . . 0.0 109.162 -176.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -58.85 -43.14 90.72 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.454 0.702 . . . . 0.0 111.488 -175.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 117.177 -1.902 . . . . 0.0 111.668 -176.428 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.3 ttm . . . . . 0 N--CA 1.474 0.745 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -27.34 109.55 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 127.162 2.185 . . . . 0.0 113.722 -174.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.8 p -173.45 162.57 3.34 Favored Pre-proline 0 N--CA 1.452 -0.345 0 C-N-CA 125.241 1.417 . . . . 0.0 107.214 -177.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -51.07 -44.09 44.4 Favored 'Trans proline' 0 N--CA 1.456 -0.715 0 C-N-CA 122.695 2.264 . . . . 0.0 111.334 169.305 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 89.0 mt -59.32 -53.91 52.79 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.688 0.795 . . . . 0.0 110.393 177.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -56.03 -43.5 77.88 Favored 'General case' 0 C--O 1.225 -0.199 0 CA-C-N 118.349 0.522 . . . . 0.0 111.287 177.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.2 tm0? -55.76 -43.15 76.44 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 122.754 0.422 . . . . 0.0 110.816 172.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.14 -43.89 81.2 Favored 'General case' 0 CA--C 1.528 0.121 0 O-C-N 121.831 -0.543 . . . . 0.0 109.895 -177.12 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.0 mt -56.72 -46.81 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 172.026 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.14 -51.2 31.38 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 124.158 0.885 . . . . 0.0 111.46 174.14 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.3 tt -57.31 -56.07 26.6 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.414 0.686 . . . . 0.0 110.171 177.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.8 mt -53.87 -50.18 66.86 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 123.658 0.783 . . . . 0.0 111.194 -178.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.1 mm -53.65 -54.2 20.71 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.398 0 C-N-CA 124.397 1.079 . . . . 0.0 108.767 173.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.12 -57.28 9.09 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 123.872 0.749 . . . . 0.0 111.533 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.5 mm -57.11 -47.97 82.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-N 116.975 0.387 . . . . 0.0 110.458 -178.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -54.68 -50.33 68.49 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 122.404 1.097 . . . . 0.0 110.733 176.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -69.02 -16.44 63.71 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 124.848 1.259 . . . . 0.0 111.925 -170.115 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -48.13 -48.41 34.11 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 119.292 0.951 . . . . 0.0 109.283 169.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -78.61 -56.85 4.1 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.464 -175.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.6 m -57.14 -25.41 58.84 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -178.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.77 -46.96 93.16 Favored Glycine 0 CA--C 1.525 0.699 0 O-C-N 121.579 -0.701 . . . . 0.0 111.514 173.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -71.42 -50.7 29.25 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 175.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -83.45 64.09 7.67 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.07 53.3 3.01 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 123.609 0.623 . . . . 0.0 113.257 -172.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -89.57 -43.5 10.74 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 117.82 0.81 . . . . 0.0 109.679 171.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -168.74 160.89 10.87 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 105.895 -1.891 . . . . 0.0 105.895 -173.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 66.5 t-80 -71.36 69.12 0.55 Allowed 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 170.103 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.6 t -138.53 165.01 27.94 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 126.412 1.885 . . . . 0.0 106.898 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 75.5 mt -101.61 171.45 7.55 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 125.126 1.37 . . . . 0.0 107.398 167.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.7 p -146.33 169.95 17.79 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 105.607 -1.997 . . . . 0.0 105.607 169.195 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -52.63 -39.79 62.1 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.557 0.743 . . . . 0.0 112.134 -174.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -57.23 -52.29 65.9 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 121.187 0.518 . . . . 0.0 109.92 175.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -62.58 -41.03 98.69 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 122.999 0.52 . . . . 0.0 110.046 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -54.75 -52.33 62.89 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.27 1.028 . . . . 0.0 109.074 174.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 55.1 tttm -55.76 -48.01 76.0 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.748 0.819 . . . . 0.0 110.702 177.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -58.03 -48.75 79.14 Favored 'General case' 0 CA--C 1.53 0.175 0 O-C-N 121.325 -0.859 . . . . 0.0 110.773 176.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.7 tp -55.54 -54.52 43.01 Favored 'General case' 0 N--CA 1.452 -0.33 0 O-C-N 122.022 -0.424 . . . . 0.0 111.119 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 31.2 pt -60.43 -40.47 84.26 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 C-N-CA 119.673 -0.811 . . . . 0.0 110.744 -179.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -56.34 -44.32 79.91 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 118.593 0.633 . . . . 0.0 110.71 173.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.3 mmtm -63.5 -51.63 64.73 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 119.305 0.957 . . . . 0.0 111.95 177.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -53.71 -42.67 68.29 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.905 0.775 . . . . 0.0 110.231 175.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.1 tp -60.67 -46.57 89.84 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.245 0.618 . . . . 0.0 110.203 177.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 58.3 m -54.95 -47.73 74.1 Favored 'General case' 0 CA--C 1.527 0.08 0 C-N-CA 123.661 0.784 . . . . 0.0 109.651 176.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.0 mm -79.31 53.12 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 CA-C-O 121.315 0.579 . . . . 0.0 109.671 175.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 49.48 17.3 1.18 Allowed Glycine 0 CA--C 1.531 1.085 0 C-N-CA 127.355 2.407 . . . . 0.0 116.645 170.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 t -81.27 -2.04 47.38 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 119.823 1.811 . . . . 0.0 113.111 -169.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -24.03 -58.9 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 127.751 2.421 . . . . 0.0 114.622 -178.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -55.18 -38.67 68.64 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -172.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.98 -25.45 14.57 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-N 117.954 0.343 . . . . 0.0 110.828 175.541 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.407 ' HA ' ' HB ' ' A' ' 53' ' ' ILE . 31.4 t70 -62.66 -34.07 76.35 Favored 'General case' 0 N--CA 1.454 -0.269 0 O-C-N 121.253 -0.905 . . . . 0.0 111.884 178.352 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -49.23 -38.12 25.44 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.075 0.55 . . . . 0.0 110.699 168.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -80.04 -41.88 24.86 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 118.879 -0.582 . . . . 0.0 110.301 173.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.407 ' HB ' ' HA ' ' A' ' 50' ' ' ASP . 1.6 mp -61.76 -42.31 93.94 Favored 'Isoleucine or valine' 0 C--N 1.343 0.292 0 C-N-CA 118.668 -1.213 . . . . 0.0 111.145 -175.043 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.1 p -59.11 -40.46 80.96 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 CA-C-N 118.926 0.784 . . . . 0.0 110.759 176.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -62.4 -48.82 78.02 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.067 -0.396 . . . . 0.0 110.259 177.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.31 -46.94 88.2 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 122.129 -0.357 . . . . 0.0 110.496 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 45.9 mtt -52.58 -56.07 17.86 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 122.843 0.457 . . . . 0.0 110.016 173.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -52.56 -52.68 53.84 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 122.801 0.44 . . . . 0.0 110.905 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -51.67 -48.15 63.53 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.255 1.022 . . . . 0.0 111.557 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 77.6 mt -72.22 -39.18 68.71 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 117.687 0.222 . . . . 0.0 111.558 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -66.75 -50.88 61.33 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 124.767 1.227 . . . . 0.0 110.71 -174.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 64.89 -68.4 0.11 Allowed 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 126.328 1.851 . . . . 0.0 111.997 178.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -156.63 5.63 0.17 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.957 1.303 . . . . 0.0 112.123 -178.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -66.28 -38.13 87.08 Favored 'General case' 0 C--N 1.342 0.263 0 CA-C-N 119.36 0.982 . . . . 0.0 109.902 -178.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 24.7 -64.62 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.363 1 C-N-CA 132.467 4.307 . . . . 0.0 116.026 167.701 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.426 ' H ' ' CD ' ' A' ' 66' ' ' GLN . 2.0 mp0 -39.04 -47.32 1.49 Allowed 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 125.816 1.647 . . . . 0.0 110.463 170.514 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -128.28 135.51 49.73 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 125.402 1.481 . . . . 0.0 107.173 170.033 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 59.4 t -120.82 121.8 66.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 103.75 -2.685 . . . . 0.0 103.75 168.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -92.22 151.89 20.12 Favored 'General case' 0 N--CA 1.457 -0.093 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -166.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -50.61 -41.77 55.18 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.286 0.634 . . . . 0.0 111.076 173.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.1 tp60 -56.96 -38.16 72.58 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.377 -0.827 . . . . 0.0 111.655 175.175 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -64.14 -42.14 96.91 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 177.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -58.8 -45.87 88.89 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 122.161 -0.337 . . . . 0.0 111.286 176.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.83 -47.25 89.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 119.33 -0.948 . . . . 0.0 110.911 179.039 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.8 p -62.16 -37.49 85.44 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 121.762 -0.586 . . . . 0.0 110.58 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -55.23 -53.6 53.96 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.563 1.145 . . . . 0.0 110.607 169.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.5 tp -51.37 -48.08 62.62 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.047 0.539 . . . . 0.0 109.932 175.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.83 -57.11 11.42 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.372 -0.691 . . . . 0.0 111.372 173.213 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.22 -47.43 72.16 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.175 0.99 . . . . 0.0 110.943 -178.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.4 mp -54.16 -56.77 15.0 Favored 'General case' 0 C--O 1.228 -0.068 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 175.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.01 -40.64 77.03 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 111.503 0.186 . . . . 0.0 111.503 -178.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 47.8 mtt -61.04 -49.44 77.37 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.233 0.613 . . . . 0.0 110.726 175.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 17.7 mm -54.14 -45.55 66.3 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 O-C-N 121.321 -0.862 . . . . 0.0 109.148 174.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -77.84 25.05 0.21 Allowed 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 175.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -51.61 -35.92 43.6 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 119.874 1.215 . . . . 0.0 110.903 171.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -46.07 -48.34 17.02 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.133 0.973 . . . . 0.0 111.854 170.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -78.36 -37.07 45.14 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.656 0.782 . . . . 0.0 110.236 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 53.1 tp -53.94 -48.36 70.31 Favored 'General case' 0 C--O 1.227 -0.129 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 175.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -62.09 -63.29 1.29 Allowed 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 170.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.189 0 CA-C-O 117.192 -1.893 . . . . 0.0 111.342 178.552 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 76.9 mtm . . . . . 0 N--CA 1.475 0.812 0 CA-C-O 120.575 0.226 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.74 -179.55 5.94 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 125.779 1.632 . . . . 0.0 106.702 178.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.63 119.0 9.04 Favored Pre-proline 0 CA--C 1.535 0.367 0 C-N-CA 124.428 1.091 . . . . 0.0 109.599 174.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_exo -43.98 -53.4 4.66 Favored 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 123.52 2.814 . . . . 0.0 113.828 -175.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 48.0 mt -63.26 -40.53 97.66 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.923 -0.485 . . . . 0.0 111.082 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -62.35 -43.05 99.73 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 118.378 0.535 . . . . 0.0 110.423 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.2 -40.68 90.91 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 122.921 0.488 . . . . 0.0 110.369 173.14 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.06 -49.27 75.2 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.5 mp -51.05 -51.98 19.53 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.33 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 170.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.75 -54.28 11.7 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 124.141 0.877 . . . . 0.0 111.666 178.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 62.6 tp -60.23 -57.0 14.7 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 122.253 -0.557 . . . . 0.0 110.477 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 8.0 tt -58.44 -50.66 72.91 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 122.971 0.508 . . . . 0.0 111.234 -173.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 4.6 tt -64.38 -39.38 85.35 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 C-N-CA 123.799 0.84 . . . . 0.0 109.327 178.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.91 -45.06 92.27 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 123.843 0.735 . . . . 0.0 111.776 174.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 92.6 mt -62.83 -58.11 9.03 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 175.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -58.33 -34.61 70.81 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 122.428 0.291 . . . . 0.0 111.544 -173.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -48.21 -48.51 34.89 Favored 'General case' 0 N--CA 1.457 -0.086 0 C-N-CA 125.479 1.511 . . . . 0.0 111.688 176.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -43.36 -56.78 3.36 Favored 'General case' 0 C--N 1.337 0.06 0 C-N-CA 124.11 0.964 . . . . 0.0 111.529 -168.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -84.63 -80.65 0.2 Allowed 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.078 173.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -52.47 -32.22 38.69 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 126.967 2.107 . . . . 0.0 115.019 -168.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.41 -63.47 1.57 Allowed Glycine 0 C--N 1.334 0.433 0 N-CA-C 110.149 -1.181 . . . . 0.0 110.149 -176.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -56.63 -42.52 78.98 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.383 0.673 . . . . 0.0 110.938 -177.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -74.85 -12.43 60.38 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 178.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.89 -71.91 0.9 Allowed Glycine 0 CA--C 1.526 0.721 0 C-N-CA 124.465 1.031 . . . . 0.0 111.296 177.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.6 p30 41.62 -108.08 0.09 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.379 1.872 . . . . 0.0 111.003 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -138.39 37.95 2.27 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 169.008 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 44.92 61.87 2.33 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 122.895 1.331 . . . . 0.0 111.695 -170.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 3.2 t -144.71 156.69 44.21 Favored 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 127.33 2.252 . . . . 0.0 105.82 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 5.3 mp -92.7 107.35 19.15 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 103.998 -2.593 . . . . 0.0 103.998 166.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 67.0 p -89.98 162.17 15.52 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 -179.14 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -42.78 -46.17 5.09 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -173.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -62.49 -62.12 1.97 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 122.993 0.517 . . . . 0.0 110.426 -178.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -65.38 -29.36 70.06 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 121.56 -0.712 . . . . 0.0 111.091 -175.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 9.3 tt -62.41 -48.02 81.55 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.413 0.685 . . . . 0.0 109.532 170.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -55.58 -46.3 77.27 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.95 -0.468 . . . . 0.0 110.107 175.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -54.78 -52.46 62.55 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.619 -0.675 . . . . 0.0 110.154 174.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.2 tt -50.56 -61.42 2.2 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 118.859 -0.591 . . . . 0.0 110.22 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 26.4 pt -58.65 -41.22 81.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-N 118.669 0.668 . . . . 0.0 110.749 -174.147 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -55.93 -54.52 43.76 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.581 0.628 . . . . 0.0 111.22 175.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -60.57 -53.47 57.12 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.652 0.66 . . . . 0.0 110.585 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -53.64 -32.1 50.02 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.73 1.612 . . . . 0.0 111.77 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 58.2 mt -76.05 -62.07 1.72 Allowed 'General case' 0 CA--C 1.532 0.257 0 O-C-N 121.606 -0.684 . . . . 0.0 110.021 170.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 38.2 p -58.68 -26.53 63.94 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 -168.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 10.3 tp -52.45 -33.95 18.31 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-N 119.34 0.973 . . . . 0.0 111.149 171.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.56 23.37 76.64 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 115.023 0.769 . . . . 0.0 115.023 168.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.4 m -63.29 -33.94 76.6 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.565 1.182 . . . . 0.0 110.367 169.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 52.3 mttp 70.69 -68.69 0.2 Allowed 'General case' 0 C--O 1.231 0.109 0 C-N-CA 127.024 2.13 . . . . 0.0 108.925 -176.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 pp -56.44 143.38 35.09 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 171.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 64.12 -54.03 0.25 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.891 1.676 . . . . 0.0 113.347 -170.008 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -65.82 -41.65 91.58 Favored 'General case' 0 N--CA 1.456 -0.168 0 O-C-N 120.555 -1.341 . . . . 0.0 113.693 -173.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.36 -46.4 66.13 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 173.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -59.23 -44.94 92.31 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 118.389 -0.815 . . . . 0.0 110.422 174.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 21.9 mm -60.07 -55.47 23.9 Favored 'Isoleucine or valine' 0 C--N 1.342 0.282 0 CA-C-N 119.836 1.198 . . . . 0.0 110.047 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 28.0 m -62.9 -41.16 91.62 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.699 -175.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -58.31 -49.77 76.0 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 118.137 0.426 . . . . 0.0 110.136 175.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 22.7 tp -61.25 -48.64 80.51 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 122.843 0.457 . . . . 0.0 110.261 -176.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 58.5 mtt -62.84 -41.61 99.42 Favored 'General case' 0 N--CA 1.453 -0.283 0 O-C-N 122.147 -0.346 . . . . 0.0 110.889 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -59.16 -50.37 74.28 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 118.663 0.665 . . . . 0.0 110.526 174.213 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -53.07 -45.84 68.31 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.886 0.874 . . . . 0.0 111.295 176.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.0 tt -59.48 -58.38 8.87 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 174.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -56.61 -43.87 80.59 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 125.493 1.517 . . . . 0.0 111.847 -171.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 72.42 -58.5 0.59 Allowed 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 125.959 1.704 . . . . 0.0 111.178 -177.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -78.14 20.46 0.38 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.878 0.871 . . . . 0.0 112.517 -177.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 93.2 mttt 67.68 -59.98 0.4 Allowed 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 126.436 1.894 . . . . 0.0 112.938 -173.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -121.53 136.22 54.97 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 126.385 1.874 . . . . 0.0 107.856 170.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -164.43 174.65 10.76 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 126.787 2.035 . . . . 0.0 105.765 -176.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -92.06 94.09 9.07 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 177.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 78.1 t -89.83 103.06 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 N-CA-C 105.277 -2.12 . . . . 0.0 105.277 -171.032 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -92.85 149.31 21.35 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 123.523 0.729 . . . . 0.0 110.156 -168.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -54.54 -38.69 66.88 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -173.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -45.14 84.18 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.491 -0.756 . . . . 0.0 109.815 175.357 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -66.12 -43.24 87.76 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 121.842 -0.536 . . . . 0.0 109.6 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -50.86 -52.47 41.35 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.078 0.551 . . . . 0.0 110.254 174.014 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 17.1 mm -61.0 -50.62 79.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 123.248 0.619 . . . . 0.0 111.522 178.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 27.1 m -56.6 -45.44 81.41 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 121.426 0.631 . . . . 0.0 109.429 -179.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -61.57 -41.39 97.33 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.43 1.092 . . . . 0.0 110.951 176.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 3.6 tt -54.12 -53.2 56.52 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 174.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.56 -54.17 31.67 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 177.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.53 -49.49 74.63 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 117.712 0.756 . . . . 0.0 111.383 -179.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 58.9 tp -58.26 -48.33 80.79 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.272 1.029 . . . . 0.0 109.942 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.84 -38.73 91.92 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.703 0.401 . . . . 0.0 111.336 178.129 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 16.7 tmm? -59.52 -48.26 82.34 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 121.747 -0.595 . . . . 0.0 109.573 173.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 88.3 mt -56.21 -42.7 74.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-N 118.664 0.665 . . . . 0.0 110.018 173.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -58.67 -7.28 0.92 Allowed 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.067 0.765 . . . . 0.0 113.067 175.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -50.4 -35.69 29.43 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 120.64 1.564 . . . . 0.0 110.122 167.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -57.76 -40.11 78.98 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 122.212 -0.305 . . . . 0.0 111.72 172.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.41 -43.94 68.97 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.038 0.535 . . . . 0.0 110.55 177.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 7.1 mp -54.67 -49.06 71.54 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 174.092 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.24 -45.66 93.61 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.732 1.213 . . . . 0.0 110.248 178.259 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.108 0 CA-C-O 117.21 -1.884 . . . . 0.0 111.502 174.74 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.1 ttp . . . . . 0 N--CA 1.474 0.742 0 N-CA-C 110.655 -0.128 . . . . 0.0 110.655 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.95 169.42 15.93 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 174.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.1 m -56.07 138.51 72.71 Favored Pre-proline 0 CA--C 1.535 0.374 0 CA-C-O 118.271 -0.871 . . . . 0.0 109.313 173.23 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -38.05 -53.32 1.63 Allowed 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 124.593 3.529 . . . . 0.0 115.439 -170.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -57.24 -50.49 72.71 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 117.992 0.36 . . . . 0.0 111.475 -179.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -68.28 -33.2 73.91 Favored 'General case' 0 CA--C 1.517 -0.308 0 O-C-N 121.911 -0.493 . . . . 0.0 110.357 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -65.29 -40.52 93.95 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 117.817 0.28 . . . . 0.0 110.76 177.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.21 -49.19 17.81 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 124.167 0.987 . . . . 0.0 109.931 -176.109 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.1 mt -52.18 -48.18 43.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 169.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.07 -49.81 54.09 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 124.647 1.118 . . . . 0.0 111.176 176.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 64.7 tp -55.43 -54.08 48.2 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 117.765 0.782 . . . . 0.0 110.48 175.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 tp -52.67 -55.89 19.34 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 121.613 0.721 . . . . 0.0 110.596 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 67.2 mt -53.55 -47.1 60.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 C-N-CA 123.719 0.808 . . . . 0.0 109.353 178.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.56 -56.66 23.43 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 124.237 0.922 . . . . 0.0 111.593 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.4 pt -62.18 -35.49 69.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 O-C-N 121.805 -0.821 . . . . 0.0 111.012 -177.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -62.04 -55.42 29.32 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.304 0.502 . . . . 0.0 109.872 172.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -52.95 -32.26 44.99 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 125.969 1.707 . . . . 0.0 111.675 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -50.77 -46.92 59.69 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.485 0.584 . . . . 0.0 110.484 175.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -80.25 -53.71 6.4 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 123.715 0.806 . . . . 0.0 109.595 175.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.2 m -74.96 61.85 1.08 Allowed 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 124.655 1.182 . . . . 0.0 110.015 175.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -170.45 -58.58 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 107.792 -2.123 . . . . 0.0 107.792 -178.368 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.4 pttt -68.45 -36.07 78.48 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 117.01 0.405 . . . . 0.0 111.099 174.482 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -127.32 -60.22 1.2 Allowed 'General case' 0 C--N 1.341 0.215 0 C-N-CA 123.277 0.631 . . . . 0.0 111.189 -177.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.45 147.26 40.31 Favored Glycine 0 CA--C 1.531 1.072 0 N-CA-C 110.07 -1.212 . . . . 0.0 110.07 -175.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -78.46 38.31 0.3 Allowed 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.34 -1.094 . . . . 0.0 113.601 -169.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp 68.15 -49.17 0.54 Allowed 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 126.086 1.755 . . . . 0.0 112.074 -169.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 58.7 m80 -79.75 -18.26 51.54 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 125.499 1.52 . . . . 0.0 112.496 -173.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.4 p -141.13 168.6 19.4 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 119.18 0.9 . . . . 0.0 109.225 178.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.3 tt -131.46 118.76 20.64 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 127.032 2.133 . . . . 0.0 106.486 175.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.8 m -93.74 158.96 15.42 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.354 0.661 . . . . 0.0 111.963 -171.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -44.79 -47.31 10.9 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.402 1.081 . . . . 0.0 112.895 -170.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -51.61 -44.41 62.85 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.197 0.599 . . . . 0.0 111.278 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -64.12 -38.87 92.61 Favored 'General case' 0 N--CA 1.453 -0.3 0 O-C-N 122.028 -0.42 . . . . 0.0 110.71 177.327 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.5 tp -64.42 -46.54 82.79 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 179.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -55.92 -52.93 62.37 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.154 0.582 . . . . 0.0 109.861 173.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 67.5 tt0 -51.72 -46.05 63.81 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.009 0.524 . . . . 0.0 110.492 176.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.5 tp -56.99 -59.13 5.51 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 118.833 -0.603 . . . . 0.0 110.288 178.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 46.5 pt -58.85 -36.09 59.5 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 119.16 0.891 . . . . 0.0 111.606 -176.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -61.61 -63.01 1.41 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.062 0.545 . . . . 0.0 110.666 174.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -58.48 -41.63 85.72 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.187 0.595 . . . . 0.0 111.375 -177.141 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -70.76 -14.7 62.53 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.123 0.969 . . . . 0.0 111.371 176.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 43.6 mt 58.4 41.16 23.38 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 125.734 1.613 . . . . 0.0 111.455 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 49.3 p -84.08 50.92 1.94 Allowed 'General case' 0 CA--C 1.53 0.195 0 O-C-N 121.573 -0.704 . . . . 0.0 109.514 178.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.7 pt -81.47 61.07 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 -177.318 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.82 -52.15 3.19 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -172.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.9 p -19.78 -77.21 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 128.948 2.899 . . . . 0.0 113.103 170.437 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -81.89 66.37 7.43 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.293 1.037 . . . . 0.0 108.243 -178.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.3 tp -48.39 -44.96 35.29 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.434 1.494 . . . . 0.0 111.019 -172.043 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -43.08 -64.32 0.65 Allowed 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.932 0.893 . . . . 0.0 111.178 173.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -76.25 -31.85 58.54 Favored 'General case' 0 N--CA 1.45 -0.436 0 O-C-N 121.644 -0.66 . . . . 0.0 110.818 -170.427 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.02 -49.6 63.04 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 169.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -63.55 -39.69 95.05 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 117.766 -1.111 . . . . 0.0 111.499 175.142 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 81.6 mt -55.88 -52.55 47.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-N 120.803 1.638 . . . . 0.0 109.571 176.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 76.6 t -59.69 -47.28 91.75 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 O-C-N 122.28 -0.262 . . . . 0.0 110.553 179.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -55.53 -47.91 75.52 Favored 'General case' 0 N--CA 1.455 -0.175 0 O-C-N 122.26 -0.275 . . . . 0.0 110.511 179.182 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 56.6 mt -61.25 -45.17 95.61 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 122.976 0.51 . . . . 0.0 110.313 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 41.5 ttp -56.79 -50.05 73.48 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.147 0.431 . . . . 0.0 110.683 176.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -57.71 -50.79 72.04 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.156 0.582 . . . . 0.0 110.6 178.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -55.31 -45.24 76.32 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.799 1.24 . . . . 0.0 110.671 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.4 tt -57.78 -58.22 9.33 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 173.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -78.94 58.8 2.47 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -176.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 73.7 mtt85 -68.66 -30.95 69.75 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.317 -0.864 . . . . 0.0 108.842 166.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -52.03 -55.28 21.58 Favored 'General case' 0 C--N 1.34 0.162 0 C-N-CA 124.342 1.057 . . . . 0.0 112.332 -175.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 46.0 mttm -100.46 -55.25 2.65 Favored 'General case' 0 C--O 1.232 0.133 0 C-N-CA 122.773 0.429 . . . . 0.0 109.994 -177.007 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.8 t70 65.15 -64.05 0.18 Allowed 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 128.053 2.541 . . . . 0.0 112.625 175.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -47.36 -37.24 10.82 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 126.761 2.024 . . . . 0.0 111.514 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -142.93 142.33 31.67 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 169.229 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 57.0 t -93.57 135.71 27.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 N-CA-C 105.566 -2.013 . . . . 0.0 105.566 175.267 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -90.99 141.24 29.06 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 -179.303 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -43.8 -45.94 7.54 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.25 1.02 . . . . 0.0 112.277 178.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -58.61 -39.33 80.13 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.349 -0.845 . . . . 0.0 111.279 177.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -68.05 -42.48 80.47 Favored 'General case' 0 C--O 1.224 -0.283 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 176.13 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -55.37 -50.99 68.25 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 118.335 0.516 . . . . 0.0 110.033 175.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 24.7 mm -61.04 -52.79 57.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 O-C-N 121.875 -0.516 . . . . 0.0 111.402 177.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.9 m -62.87 -33.62 75.66 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.051 -1.03 . . . . 0.0 110.524 -177.144 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -60.99 -45.86 93.12 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.785 0.834 . . . . 0.0 110.555 171.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.7 tt -51.43 -50.64 59.33 Favored 'General case' 0 C--N 1.342 0.256 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 173.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -46.05 -65.69 1.95 Allowed Glycine 0 CA--C 1.53 1.027 0 C-N-CA 123.695 0.664 . . . . 0.0 112.375 172.495 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.07 -46.25 71.96 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.545 1.138 . . . . 0.0 112.017 -175.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.9 tp -58.97 -55.82 30.25 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 177.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.63 -37.77 71.19 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 122.904 0.481 . . . . 0.0 112.024 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 80.3 mtp -56.87 -15.25 4.44 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 178.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 31.1 mm -58.16 -31.7 42.56 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 CA-C-N 119.535 1.061 . . . . 0.0 110.219 169.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 51.05 51.99 15.91 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 125.624 1.569 . . . . 0.0 112.03 175.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -41.86 107.67 0.08 Allowed 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.579 1.552 . . . . 0.0 111.485 175.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 56.3 tt0 58.87 40.67 22.45 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.644 0.778 . . . . 0.0 110.553 177.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 51.01 54.04 11.97 Favored 'General case' 0 C--N 1.339 0.151 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -171.21 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 78.8 mt 45.45 49.6 10.52 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.831 1.252 . . . . 0.0 110.848 -172.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 62.4 pttt 43.27 38.44 1.64 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.663 1.585 . . . . 0.0 113.645 -174.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.144 0 CA-C-O 117.271 -1.849 . . . . 0.0 112.9 173.832 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.474 0.752 0 N-CA-C 110.695 -0.113 . . . . 0.0 110.695 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -169.81 177.14 4.55 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 106.609 -1.626 . . . . 0.0 106.609 -178.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 27.6 m -159.21 152.53 18.72 Favored Pre-proline 0 CA--C 1.532 0.251 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 172.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_exo -46.37 -53.69 5.67 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 123.563 2.842 . . . . 0.0 113.601 -176.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.8 -45.21 82.35 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 122.142 -0.349 . . . . 0.0 111.446 178.567 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -62.88 -46.99 85.25 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.205 0.602 . . . . 0.0 110.716 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -57.14 -45.1 83.84 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 174.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.81 -54.36 19.68 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 122.216 -0.303 . . . . 0.0 110.708 -172.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 11.9 tt -58.55 -45.82 90.17 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 177.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.51 -53.89 22.99 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 175.222 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -56.59 -62.95 1.38 Allowed 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 117.218 0.509 . . . . 0.0 110.751 178.12 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 pp -62.15 -39.44 92.62 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 119.531 1.059 . . . . 0.0 112.043 -170.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 25.7 mt -65.42 -43.86 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-O 118.986 -0.531 . . . . 0.0 109.652 175.217 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.99 -53.69 40.55 Favored Glycine 0 CA--C 1.53 1.0 0 CA-C-N 119.279 0.945 . . . . 0.0 111.174 176.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 28.6 mm -54.38 -38.33 40.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 124.192 0.997 . . . . 0.0 110.825 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -66.05 -63.31 1.11 Allowed 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.666 0.745 . . . . 0.0 111.587 171.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -63.52 -22.01 66.65 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 124.869 1.268 . . . . 0.0 112.512 -169.082 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -60.8 -36.98 80.42 Favored 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 119.804 -0.758 . . . . 0.0 109.662 176.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -81.74 -67.63 0.76 Allowed 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 168.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 49.2 m -77.55 58.84 1.82 Allowed 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.821 2.048 . . . . 0.0 111.838 -168.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -177.94 -65.26 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.451 0 N-CA-C 108.207 -1.957 . . . . 0.0 108.207 -172.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -64.84 -38.06 89.71 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 176.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -74.39 67.13 1.41 Allowed 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 118.143 0.429 . . . . 0.0 110.062 174.029 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.75 48.66 74.82 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 124.715 1.15 . . . . 0.0 113.306 170.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 21.4 t70 71.76 -55.22 0.67 Allowed 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 126.56 1.944 . . . . 0.0 113.172 175.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -3.99 91.43 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 128.15 2.58 . . . . 0.0 113.899 177.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -76.43 50.23 0.64 Allowed 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 121.664 0.745 . . . . 0.0 110.233 174.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 5.3 t -147.78 145.72 28.9 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 126.27 1.828 . . . . 0.0 107.888 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 59.0 mt -93.24 97.3 10.54 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 105.328 -2.101 . . . . 0.0 105.328 168.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.3 m -92.62 171.82 8.76 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 176.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -43.71 -42.45 5.39 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.22 1.008 . . . . 0.0 111.702 178.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -53.91 -59.8 4.16 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.816 0.846 . . . . 0.0 111.439 173.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 30.1 mp0 -58.48 -42.81 88.39 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.695 -0.628 . . . . 0.0 109.816 -178.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 76.7 mt -58.19 -43.42 87.56 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 119.489 -0.291 . . . . 0.0 110.774 175.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -53.86 -55.01 30.65 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 174.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -56.2 -44.74 79.75 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 117.868 0.304 . . . . 0.0 111.785 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 41.0 tp -56.18 -63.89 1.04 Allowed 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 119.487 -0.292 . . . . 0.0 110.494 175.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 2.3 pp -62.31 -37.92 79.84 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-N 118.572 0.624 . . . . 0.0 110.965 -172.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -50.46 -49.98 53.64 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 124.272 1.029 . . . . 0.0 109.995 170.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -69.29 -43.05 74.62 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 117.871 0.305 . . . . 0.0 111.814 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -60.65 -36.38 78.54 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 118.639 0.654 . . . . 0.0 112.09 177.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 77.0 mt 58.07 -99.2 0.09 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.705 1.202 . . . . 0.0 111.156 -172.052 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.6 m -78.77 55.23 1.67 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.767 1.227 . . . . 0.0 112.485 -168.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 28.1 pt -43.62 -46.24 1.78 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 124.772 1.229 . . . . 0.0 112.102 -178.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -49.73 -36.59 25.99 Favored Glycine 0 CA--C 1.529 0.924 0 C-N-CA 124.827 1.203 . . . . 0.0 113.314 -178.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 99.9 p -70.31 -31.12 68.3 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 117.881 0.841 . . . . 0.0 111.551 -177.048 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -85.48 49.76 1.82 Allowed 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.768 -0.583 . . . . 0.0 111.337 -168.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 1.9 mm? 24.59 -102.82 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 127.96 2.504 . . . . 0.0 113.113 -178.042 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.9 mm100 -46.74 -42.38 16.7 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 124.359 1.064 . . . . 0.0 112.003 -177.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -62.11 -25.48 67.75 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 118.59 -0.719 . . . . 0.0 112.5 -175.361 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.02 -48.31 70.6 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 169.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -66.87 -44.64 80.4 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 118.504 -0.76 . . . . 0.0 110.849 176.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 42.6 mm -60.95 -51.77 69.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-N 119.576 1.08 . . . . 0.0 109.385 -175.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 96.6 t -60.92 -49.01 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 C-N-CA 123.396 0.678 . . . . 0.0 109.478 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -52.78 -54.16 38.0 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 118.846 0.748 . . . . 0.0 110.657 177.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 46.5 mt -57.67 -55.22 37.66 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 122.936 0.494 . . . . 0.0 110.453 -177.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 34.9 ttp -57.9 -46.04 85.53 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 121.154 0.502 . . . . 0.0 110.58 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -56.53 -56.96 14.79 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 123.383 0.673 . . . . 0.0 110.434 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -62.76 -42.3 99.62 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.982 0.81 . . . . 0.0 110.914 -177.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 64.4 tp -51.57 -46.12 63.35 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 123.912 0.885 . . . . 0.0 110.255 177.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -72.22 -62.57 1.39 Allowed 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 121.235 0.541 . . . . 0.0 111.186 176.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 50.9 tpt85 -53.72 -23.33 11.29 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 126.359 1.864 . . . . 0.0 112.54 -172.046 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -32.18 -45.59 0.11 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.608 1.563 . . . . 0.0 112.266 168.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -144.38 -166.98 2.51 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 168.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -74.89 58.93 0.87 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.986 1.315 . . . . 0.0 110.308 174.279 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -94.99 178.08 5.68 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-O 122.821 1.296 . . . . 0.0 110.277 -174.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -140.0 143.34 36.41 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 103.798 -2.668 . . . . 0.0 103.798 168.102 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 46.7 t -93.02 117.61 36.82 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.084 0 N-CA-C 106.408 -1.701 . . . . 0.0 106.408 -178.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -87.79 157.31 19.06 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.045 -1.034 . . . . 0.0 108.283 -170.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -40.4 -51.58 2.82 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 176.249 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -65.37 -28.37 69.23 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 120.927 -1.108 . . . . 0.0 111.987 179.026 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -69.68 -38.78 77.17 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 118.83 0.741 . . . . 0.0 110.2 171.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -59.03 -48.79 80.31 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.323 0.965 . . . . 0.0 109.439 174.059 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 1.4 mp -60.87 -54.04 40.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 O-C-N 121.84 -0.538 . . . . 0.0 111.619 177.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 31.7 p -65.37 -30.0 70.78 Favored 'General case' 0 CA--C 1.533 0.327 0 O-C-N 120.313 -1.492 . . . . 0.0 110.913 -179.006 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -61.61 -39.66 92.02 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.679 0.672 . . . . 0.0 110.222 169.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 3.6 tt -54.39 -50.52 67.35 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 171.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -46.34 -54.94 8.15 Favored Glycine 0 CA--C 1.531 1.073 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.692 170.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.61 -48.99 73.99 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.294 1.038 . . . . 0.0 111.402 -178.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 94.1 mt -54.54 -45.61 73.45 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 118.508 0.594 . . . . 0.0 111.553 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.92 -47.59 79.95 Favored 'General case' 0 C--O 1.226 -0.163 0 O-C-N 121.879 -0.513 . . . . 0.0 111.336 171.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.62 -40.42 83.28 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 118.806 0.73 . . . . 0.0 112.158 -177.247 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 12.7 pt -80.57 0.88 3.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-N 118.643 0.656 . . . . 0.0 112.454 174.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 70.47 52.09 0.34 Allowed 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 125.093 1.357 . . . . 0.0 113.277 171.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -50.67 100.93 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.136 0.974 . . . . 0.0 109.226 168.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 46.42 43.53 12.01 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 125.109 1.364 . . . . 0.0 112.034 -171.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 51.86 47.57 24.52 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.393 0.677 . . . . 0.0 111.16 -178.361 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 10.2 mp 61.68 49.45 4.96 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.437 1.095 . . . . 0.0 109.113 -171.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 26.2 mmmt 71.86 -49.73 0.69 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.498 1.519 . . . . 0.0 113.092 177.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.287 0 CA-C-O 117.254 -1.859 . . . . 0.0 111.123 -178.302 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.7 mmm . . . . . 0 N--CA 1.474 0.727 0 CA-C-O 119.902 -0.094 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.444 ' HB1' ' HB3' ' A' ' 6' ' ' ASP . . . -163.73 167.78 20.57 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.518 0.727 . . . . 0.0 109.987 179.52 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 p -67.19 161.05 67.23 Favored Pre-proline 0 CA--C 1.532 0.279 0 C-N-CA 124.462 1.105 . . . . 0.0 111.147 178.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -56.8 -38.68 95.23 Favored 'Trans proline' 0 N--CA 1.455 -0.765 0 C-N-CA 122.035 1.823 . . . . 0.0 109.733 168.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.7 tp -55.65 -57.64 11.15 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 123.856 0.863 . . . . 0.0 110.411 173.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.444 ' HB3' ' HB1' ' A' ' 2' ' ' ALA . 10.8 t70 -55.59 -44.13 76.68 Favored 'General case' 0 C--O 1.226 -0.142 0 O-C-N 122.011 -0.431 . . . . 0.0 110.967 178.492 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.53 -43.12 68.11 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 122.535 0.334 . . . . 0.0 110.914 173.196 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.04 -43.87 86.26 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.308 0.504 . . . . 0.0 110.036 -178.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 83.2 mt -55.83 -53.66 35.22 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 173.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.41 -51.93 35.0 Favored Glycine 0 CA--C 1.528 0.88 0 C-N-CA 124.722 1.153 . . . . 0.0 111.359 178.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -53.39 -58.11 8.27 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.789 0.836 . . . . 0.0 109.089 176.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.1 tp -56.05 -55.28 34.75 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.582 0.353 . . . . 0.0 111.455 -176.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 pp -65.17 -34.74 72.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-O 118.94 -0.552 . . . . 0.0 110.558 -176.084 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.56 -53.32 47.0 Favored Glycine 0 CA--C 1.529 0.908 0 N-CA-C 110.62 -0.992 . . . . 0.0 110.62 172.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.4 mp -53.55 -47.86 59.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 O-C-N 122.297 -0.531 . . . . 0.0 109.747 174.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -61.56 -51.97 66.37 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.753 0.706 . . . . 0.0 111.1 -177.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -44.1 -51.67 7.8 Favored 'General case' 0 CA--C 1.528 0.096 0 C-N-CA 125.181 1.393 . . . . 0.0 110.075 172.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -66.46 -57.98 6.22 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -174.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -56.84 -40.28 75.77 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.1 0.96 . . . . 0.0 111.232 -173.246 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 74.5 m -49.78 -23.13 1.67 Allowed 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 114.325 1.231 . . . . 0.0 114.325 173.443 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -26.5 -53.57 0.07 OUTLIER Glycine 0 CA--C 1.535 1.307 0 C-N-CA 126.751 2.119 . . . . 0.0 116.426 -172.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -59.34 -37.97 79.19 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 117.998 0.899 . . . . 0.0 111.855 -177.121 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -81.99 -41.62 20.49 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.245 1.018 . . . . 0.0 109.567 173.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.98 -84.45 0.11 Allowed Glycine 0 CA--C 1.525 0.692 0 C-N-CA 125.23 1.395 . . . . 0.0 112.576 169.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -66.41 -67.93 0.41 Allowed 'General case' 0 N--CA 1.457 -0.092 0 C-N-CA 123.484 0.713 . . . . 0.0 110.002 -170.457 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -80.12 65.24 5.2 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 176.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -52.71 93.77 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 126.745 2.018 . . . . 0.0 112.024 -175.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.9 p -138.51 168.29 20.09 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 126.182 1.793 . . . . 0.0 107.078 -178.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 46.5 tp -93.19 83.04 4.57 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 105.873 -1.899 . . . . 0.0 105.873 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.7 t -94.4 171.65 8.68 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 122.007 0.908 . . . . 0.0 110.629 -177.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -52.67 -35.76 55.8 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.569 1.147 . . . . 0.0 110.66 178.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.3 mtmt -55.16 -53.86 50.65 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.113 0.565 . . . . 0.0 110.958 172.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.7 mp0 -58.74 -48.42 81.23 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 178.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 59.2 mt -56.17 -49.69 73.31 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.481 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -54.97 -52.62 62.51 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.208 0.603 . . . . 0.0 109.993 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -58.87 -39.51 81.59 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.864 177.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.1 tp -63.49 -57.59 9.73 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 121.636 -0.665 . . . . 0.0 110.101 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.2 pt -56.46 -46.11 82.11 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 118.156 0.435 . . . . 0.0 110.346 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -50.33 -56.34 11.7 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.978 0.911 . . . . 0.0 110.486 175.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -75.4 -38.86 59.67 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -169.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -65.6 -35.58 81.24 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.516 1.053 . . . . 0.0 110.148 173.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 45.5 tp 65.93 -72.79 0.07 Allowed 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 126.038 1.735 . . . . 0.0 113.261 169.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 70.1 p -81.04 62.9 5.2 Favored 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 121.346 -0.846 . . . . 0.0 110.678 -169.039 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -51.78 -39.42 24.49 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 C-N-CA 123.714 0.805 . . . . 0.0 111.058 176.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -56.55 -30.14 58.56 Favored Glycine 0 CA--C 1.53 0.997 0 C-N-CA 124.159 0.885 . . . . 0.0 112.858 177.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.2 m -90.7 -49.44 6.47 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 117.71 0.755 . . . . 0.0 109.21 176.17 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -80.36 61.93 4.31 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 123.863 0.865 . . . . 0.0 110.011 -176.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -49.43 -48.19 47.56 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.275 0.63 . . . . 0.0 110.814 -178.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -40.59 -58.01 1.71 Allowed 'General case' 0 N--CA 1.457 -0.102 0 C-N-CA 124.696 1.198 . . . . 0.0 111.043 170.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -74.73 -31.62 61.88 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 119.487 -0.885 . . . . 0.0 111.01 -175.018 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.0 -45.04 64.36 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 119.308 0.958 . . . . 0.0 109.249 170.225 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -63.56 -49.48 73.26 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 117.905 -1.045 . . . . 0.0 111.923 173.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.7 pt -61.13 -46.43 96.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 117.188 -1.805 . . . . 0.0 110.487 -176.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 38.2 t -51.69 -53.52 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 C-N-CA 125.528 1.531 . . . . 0.0 109.751 173.457 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -55.09 -48.76 73.12 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 118.742 0.701 . . . . 0.0 110.661 -178.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 62.2 mt -63.1 -52.55 62.19 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 117.828 0.286 . . . . 0.0 110.637 -178.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 70.3 mtp -57.31 -46.97 82.68 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.487 0.715 . . . . 0.0 110.179 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -61.2 -49.5 76.92 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.819 1.247 . . . . 0.0 110.793 178.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -53.05 -54.37 36.41 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 118.397 0.544 . . . . 0.0 110.326 175.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 73.8 mt -55.65 -47.59 76.41 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 122.244 0.217 . . . . 0.0 110.679 178.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -62.78 -44.26 96.64 Favored 'General case' 0 C--O 1.224 -0.257 0 C-N-CA 123.308 0.643 . . . . 0.0 112.354 -178.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -72.55 -30.5 64.49 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 122.649 0.38 . . . . 0.0 110.018 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -64.83 -61.53 2.12 Favored 'General case' 0 N--CA 1.458 -0.069 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 173.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -82.66 64.44 7.29 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 175.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -57.06 66.59 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 127.292 2.237 . . . . 0.0 115.658 -167.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -148.05 -92.45 0.08 Allowed 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 126.574 1.949 . . . . 0.0 107.078 175.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -146.78 160.04 42.75 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 127.422 2.289 . . . . 0.0 106.022 173.121 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 96.0 t -93.91 133.16 35.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 172.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -90.28 153.12 20.7 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 -175.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -44.23 -50.3 8.89 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -59.66 -38.16 80.71 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 121.61 -0.681 . . . . 0.0 110.249 -178.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -67.35 -41.04 85.83 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -59.06 -43.5 91.74 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 176.11 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.3 mp -59.88 -47.35 91.86 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 O-C-N 121.915 -0.49 . . . . 0.0 111.408 174.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.3 p -61.75 -37.46 84.33 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 120.603 -1.31 . . . . 0.0 111.115 177.37 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -59.66 -44.0 93.74 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.124 0.42 . . . . 0.0 110.522 171.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 tt -53.06 -51.91 60.23 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 176.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -51.8 -56.57 15.47 Favored Glycine 0 CA--C 1.526 0.755 0 CA-C-O 119.752 -0.471 . . . . 0.0 112.357 173.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.47 -49.94 66.38 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.044 0.937 . . . . 0.0 111.553 -176.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.1 tp -64.31 -55.77 19.07 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 121.891 0.853 . . . . 0.0 109.74 177.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.92 -33.83 76.17 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 118.872 -0.585 . . . . 0.0 112.239 -169.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 22.4 ptp -64.02 -45.89 86.9 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 119.654 1.116 . . . . 0.0 111.398 -178.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 6.0 tp -64.23 -47.98 87.53 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 176.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -50.97 -48.31 61.12 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.688 1.195 . . . . 0.0 110.979 179.042 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.68 63.15 1.11 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.424 1.489 . . . . 0.0 109.252 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 53.44 33.58 16.28 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.419 1.088 . . . . 0.0 112.951 173.295 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 50.84 32.1 6.83 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.56 0.618 . . . . 0.0 112.365 -173.355 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 79.7 mt 50.69 42.76 27.65 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.305 1.442 . . . . 0.0 111.832 -170.128 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm -133.31 43.97 2.86 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.858 1.263 . . . . 0.0 108.364 170.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.15 0 CA-C-O 117.971 -1.46 . . . . 0.0 111.078 -176.013 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 90.1 mtp . . . . . 0 N--CA 1.475 0.814 0 CA-C-O 120.47 0.176 . . . . 0.0 110.593 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.6 62.8 1.48 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.812 0.845 . . . . 0.0 110.255 176.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 33.8 p 26.99 69.41 0.47 Allowed Pre-proline 0 CA--C 1.542 0.667 0 C-N-CA 127.444 2.298 . . . . 0.0 115.319 174.256 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -47.84 -42.93 30.43 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.641 2.894 . . . . 0.0 112.819 175.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 86.3 mt -52.31 -50.57 61.95 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 122.789 0.436 . . . . 0.0 110.213 173.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -65.29 -36.88 85.42 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 118.914 -0.565 . . . . 0.0 111.257 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -55.63 -45.72 77.53 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.745 0.702 . . . . 0.0 109.723 171.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.97 -51.14 70.95 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 122.214 -0.304 . . . . 0.0 110.825 178.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 39.8 mm -50.87 -54.03 11.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 175.208 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.72 -55.39 11.29 Favored Glycine 0 CA--C 1.523 0.569 0 C-N-CA 126.066 1.794 . . . . 0.0 111.491 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 66.5 mt -53.35 -54.63 33.8 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 117.043 0.422 . . . . 0.0 109.979 176.291 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 44.9 mt -57.88 -52.64 64.65 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 119.444 -0.313 . . . . 0.0 111.758 -175.324 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 21.5 pt -64.8 -43.19 96.44 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.218 0 CA-C-N 118.18 0.445 . . . . 0.0 110.441 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.59 -56.1 26.39 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 110.581 -1.008 . . . . 0.0 110.581 178.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 81.3 mt -55.19 -47.66 77.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 C-N-CA 123.397 0.679 . . . . 0.0 109.584 179.006 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -56.56 -56.82 16.45 Favored 'General case' 0 N--CA 1.457 -0.109 0 CA-C-O 121.111 0.481 . . . . 0.0 110.862 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -58.83 -30.98 68.06 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.821 1.248 . . . . 0.0 111.195 -178.089 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -57.13 -47.13 81.87 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 118.5 0.591 . . . . 0.0 110.445 -178.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -80.48 -56.64 4.04 Favored 'General case' 0 N--CA 1.457 -0.098 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 173.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 15.4 t -55.33 -27.61 48.28 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.591 0.756 . . . . 0.0 112.641 -171.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -45.45 -34.25 4.77 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 124.552 1.072 . . . . 0.0 113.347 170.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -59.99 -40.39 89.04 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.441 1.121 . . . . 0.0 111.399 175.083 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -76.91 -31.61 56.82 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.406 0.682 . . . . 0.0 109.427 174.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.69 -85.15 0.2 Allowed Glycine 0 C--N 1.335 0.497 0 C-N-CA 125.359 1.457 . . . . 0.0 111.589 168.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -78.29 -48.2 16.21 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.635 1.174 . . . . 0.0 109.654 -179.041 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -80.06 60.05 3.47 Favored 'General case' 0 CA--C 1.528 0.105 0 N-CA-C 107.321 -1.362 . . . . 0.0 107.321 174.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -66.88 75.45 0.11 Allowed 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 126.002 1.721 . . . . 0.0 112.336 -166.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 50.2 p -132.59 170.91 14.51 Favored 'General case' 0 N--CA 1.437 -1.077 0 C-N-CA 128.008 2.523 . . . . 0.0 106.642 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 97.0 mt -99.97 173.15 6.8 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 125.182 1.393 . . . . 0.0 107.346 168.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 65.6 p -145.93 162.3 38.08 Favored 'General case' 0 N--CA 1.453 -0.295 0 O-C-N 121.321 -0.862 . . . . 0.0 109.741 177.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -53.02 -35.65 59.66 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 169.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -58.42 -57.58 12.32 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.454 0.702 . . . . 0.0 109.812 175.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -57.22 -42.11 80.75 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.944 -0.472 . . . . 0.0 111.508 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 8.4 mp -57.61 -46.55 83.95 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.727 -0.608 . . . . 0.0 110.543 173.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -58.59 -41.12 85.04 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.093 -1.004 . . . . 0.0 111.085 173.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -54.83 -43.18 72.78 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 119.586 1.084 . . . . 0.0 110.742 173.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 56.2 tp -56.64 -51.74 67.54 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.059 0.845 . . . . 0.0 111.11 172.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -59.5 -41.59 85.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 C-N-CA 119.383 -0.927 . . . . 0.0 110.976 -177.226 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -66.91 -33.65 76.06 Favored 'General case' 0 CA--C 1.533 0.289 0 O-C-N 121.962 -0.461 . . . . 0.0 111.662 176.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -62.81 -45.78 91.02 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.425 0.557 . . . . 0.0 109.893 173.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -63.77 -29.86 71.03 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 122.149 -0.344 . . . . 0.0 111.368 170.151 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 36.3 tp 78.82 -69.77 0.12 Allowed 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 127.852 2.461 . . . . 0.0 109.899 177.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.8 p -79.97 58.85 3.03 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.694 -0.629 . . . . 0.0 110.112 176.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 31.3 mm 62.92 -72.78 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 127.347 2.259 . . . . 0.0 112.769 172.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -141.75 44.8 0.98 Allowed Glycine 0 CA--C 1.522 0.505 0 N-CA-C 109.716 -1.354 . . . . 0.0 109.716 -173.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.3 m -41.22 -42.87 2.21 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 127.631 2.373 . . . . 0.0 113.478 -175.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -75.04 74.1 2.22 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 176.462 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 39.6 mt 21.95 -83.03 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 129.782 3.233 . . . . 0.0 115.351 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -51.36 -37.24 46.94 Favored 'General case' 0 CA--C 1.52 -0.177 0 C-N-CA 123.551 0.74 . . . . 0.0 111.167 -178.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -57.94 -22.76 50.47 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-O 117.957 -1.02 . . . . 0.0 112.928 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.85 -51.33 61.38 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 120.395 1.452 . . . . 0.0 109.673 169.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . 0.264 2.4 pp20? -74.76 -34.16 62.43 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 117.684 -1.15 . . . . 0.0 111.495 177.488 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 27.3 mm -63.43 -47.13 93.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 CA-C-N 120.637 1.562 . . . . 0.0 109.791 179.198 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.2 t -54.93 -56.85 8.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 124.426 1.09 . . . . 0.0 109.627 177.388 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -55.07 -50.84 68.14 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 123.164 0.29 . . . . 0.0 110.599 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 54.9 tp -56.27 -56.95 14.76 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 123.402 0.681 . . . . 0.0 110.096 -178.246 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 11.2 ttt -62.87 -37.91 88.75 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 122.99 0.516 . . . . 0.0 110.978 -176.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -56.72 -63.56 1.16 Allowed 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 122.713 0.405 . . . . 0.0 110.209 173.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -59.48 -50.95 71.93 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.443 0.697 . . . . 0.0 110.17 -174.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 52.7 tp -66.86 -46.64 74.4 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.903 0.881 . . . . 0.0 111.179 -174.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -118.19 -69.21 0.86 Allowed 'General case' 0 CA--C 1.521 -0.17 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -169.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.41 -22.94 34.91 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -167.166 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -55.29 -37.93 67.97 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 118.365 0.529 . . . . 0.0 111.617 174.285 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -114.29 -45.11 3.06 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 124.014 0.926 . . . . 0.0 111.524 -176.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -77.2 75.72 3.76 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 124.358 1.063 . . . . 0.0 109.311 -175.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -44.44 -51.19 8.93 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.965 1.306 . . . . 0.0 109.93 173.744 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.432 ' CD ' ' H ' ' B' ' 67' ' ' GLU . 0.8 OUTLIER -105.34 125.15 50.66 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 126.322 1.849 . . . . 0.0 106.062 169.546 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 88.6 t -102.68 117.03 47.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 C-N-CA 125.87 1.668 . . . . 0.0 106.809 -179.353 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -89.68 156.59 18.46 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 121.524 -0.735 . . . . 0.0 109.542 -171.081 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -47.86 -42.8 27.5 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.929 -0.482 . . . . 0.0 112.042 175.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -48.74 -47.79 41.25 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 121.854 -0.529 . . . . 0.0 110.971 172.08 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -66.14 -41.11 90.88 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 118.973 -0.537 . . . . 0.0 110.112 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -55.84 -51.41 67.61 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.851 0.751 . . . . 0.0 110.105 175.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 40.2 mm -58.24 -53.19 49.44 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-O 121.123 0.487 . . . . 0.0 110.84 177.365 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 23.7 m -62.52 -37.06 84.61 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.706 -0.621 . . . . 0.0 110.033 -175.254 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -61.09 -44.21 97.71 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.928 1.291 . . . . 0.0 109.943 173.101 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.11 -50.24 64.84 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 173.288 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -47.11 -59.18 5.84 Favored Glycine 0 CA--C 1.528 0.884 0 C-N-CA 123.882 0.754 . . . . 0.0 111.823 172.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.44 -45.62 76.81 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 124.425 1.09 . . . . 0.0 111.922 -176.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.42 -57.89 10.81 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 175.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.86 -39.36 65.6 Favored 'General case' 0 CA--C 1.529 0.151 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -176.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 27.0 ttt -50.53 -18.62 0.7 Allowed 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.658 1.583 . . . . 0.0 113.713 178.069 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -50.15 -38.25 14.76 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 CA-C-N 119.327 0.967 . . . . 0.0 110.377 169.711 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 46.79 66.83 0.89 Allowed 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 125.142 1.377 . . . . 0.0 112.522 174.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -36.73 100.22 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.597 1.559 . . . . 0.0 112.913 178.235 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 57.36 49.91 12.33 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.062 0.945 . . . . 0.0 110.258 -179.427 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 50.61 48.87 21.93 Favored 'General case' 0 C--O 1.226 -0.178 0 C-N-CA 124.046 0.938 . . . . 0.0 109.501 -171.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 95.1 mt 44.88 40.34 4.28 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.409 1.084 . . . . 0.0 112.087 -170.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 53.7 mttp 49.1 37.28 10.37 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.076 0.95 . . . . 0.0 111.692 -175.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.284 0 CA-C-O 116.969 -2.017 . . . . 0.0 112.668 -170.145 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 mmt . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 110.692 -0.114 . . . . 0.0 110.692 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.5 -75.93 0.12 Allowed 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 175.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -173.07 -68.41 0.0 OUTLIER Pre-proline 0 CA--C 1.538 0.515 0 C-N-CA 125.096 1.359 . . . . 0.0 110.943 173.445 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_endo -77.73 40.44 0.86 Allowed 'Trans proline' 0 CA--C 1.538 0.699 0 C-N-CA 122.627 2.218 . . . . 0.0 113.776 -169.435 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.5 mp -65.64 -60.62 2.73 Favored 'General case' 0 N--CA 1.456 -0.131 0 O-C-N 120.956 -1.09 . . . . 0.0 108.598 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -58.46 -38.77 78.21 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.104 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -56.68 -46.73 80.97 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 173.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.02 -51.56 67.52 Favored 'General case' 0 C--O 1.231 0.108 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -179.156 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 48.0 mm -53.13 -54.58 16.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 177.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.63 -54.87 30.23 Favored Glycine 0 CA--C 1.525 0.702 0 C-N-CA 124.28 0.943 . . . . 0.0 111.352 -178.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.82 -51.84 66.08 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.578 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.7 tp -56.69 -57.24 13.27 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.448 0.699 . . . . 0.0 111.264 -176.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.5 tp -63.71 -41.06 91.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 O-C-N 121.795 -0.566 . . . . 0.0 109.791 -176.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.03 -55.57 29.59 Favored Glycine 0 CA--C 1.528 0.859 0 N-CA-C 111.585 -0.606 . . . . 0.0 111.585 177.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.3 tt -67.21 -34.08 67.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 O-C-N 121.504 -0.998 . . . . 0.0 110.583 -176.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -58.46 -53.89 53.2 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 118.708 0.686 . . . . 0.0 110.98 171.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -50.44 -45.16 55.73 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 123.732 0.813 . . . . 0.0 110.114 174.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -66.85 -54.66 20.14 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -175.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -61.73 -40.08 93.84 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.016 0.526 . . . . 0.0 110.625 -174.463 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.9 m -63.13 -65.85 0.63 Allowed 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 170.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -50.94 -34.45 30.52 Favored Glycine 0 CA--C 1.527 0.797 0 C-N-CA 125.942 1.734 . . . . 0.0 113.723 -171.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.3 ttpp -40.1 -38.91 0.8 Allowed 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 125.286 1.434 . . . . 0.0 112.842 172.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -152.55 -39.65 0.11 Allowed 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.342 0.519 . . . . 0.0 111.551 -173.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.49 84.33 0.44 Allowed Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 109.769 -1.332 . . . . 0.0 109.769 174.124 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -51.42 -37.19 47.23 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.771 0.828 . . . . 0.0 111.653 170.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -57.21 -15.88 6.86 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.139 1.376 . . . . 0.0 112.555 173.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 64.65 42.74 4.59 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.489 1.516 . . . . 0.0 110.928 175.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.8 p -138.98 170.78 15.36 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 127.584 2.354 . . . . 0.0 104.826 169.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.7 tt -92.05 94.19 9.12 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 105.801 -1.925 . . . . 0.0 105.801 -177.007 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 85.1 p -91.05 170.69 9.82 Favored 'General case' 0 C--N 1.331 -0.197 0 O-C-N 121.669 -0.644 . . . . 0.0 109.952 -172.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -44.0 -37.12 2.79 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.038 0.935 . . . . 0.0 112.618 -177.456 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -62.6 -52.84 61.78 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.913 -0.492 . . . . 0.0 110.832 176.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -61.98 -37.47 84.94 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 121.637 -0.665 . . . . 0.0 110.18 178.179 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.6 tp -61.81 -46.69 88.41 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 122.802 0.441 . . . . 0.0 110.125 175.221 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -56.67 -48.6 77.26 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 122.98 0.512 . . . . 0.0 109.896 175.215 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -55.39 -42.69 74.36 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 122.293 -0.254 . . . . 0.0 110.915 174.353 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 39.5 tp -63.37 -48.32 78.42 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 -178.371 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 76.7 mt -54.75 -51.08 55.31 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 C-N-CA 123.607 0.763 . . . . 0.0 109.257 175.398 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.0 tm0? -53.32 -49.03 67.89 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.359 0.664 . . . . 0.0 109.885 178.171 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -60.86 -53.34 58.46 Favored 'General case' 0 N--CA 1.452 -0.355 0 O-C-N 121.791 -0.568 . . . . 0.0 110.566 -178.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -57.35 -35.83 70.42 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 122.163 -0.336 . . . . 0.0 111.223 177.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 61.9 tp -66.14 -40.99 91.05 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 121.894 -0.504 . . . . 0.0 109.903 176.129 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.4 m -61.63 -44.9 96.11 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 122.915 0.486 . . . . 0.0 110.398 175.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.8 mm -59.15 -41.66 84.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 172.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.46 43.64 53.02 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 171.085 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.6 p -77.62 51.28 0.89 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.244 1.418 . . . . 0.0 110.355 178.376 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -55.94 -40.84 73.76 Favored 'General case' 0 C--O 1.226 -0.163 0 C-N-CA 125.439 1.495 . . . . 0.0 111.54 -171.14 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -63.06 -17.84 62.71 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 178.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.0 mm100 -88.53 4.26 47.37 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-O 118.246 -0.883 . . . . 0.0 111.704 172.183 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 50.8 p-10 -47.46 -44.61 25.19 Favored 'General case' 0 C--O 1.223 -0.29 0 N-CA-C 115.688 1.736 . . . . 0.0 115.688 -169.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.63 -47.92 58.21 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.381 0.991 . . . . 0.0 110.473 174.007 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -66.49 -40.7 89.44 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.527 174.127 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.8 mm -58.91 -45.64 91.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-N 119.789 1.177 . . . . 0.0 110.43 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 68.9 t -57.33 -51.33 70.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 123.866 0.866 . . . . 0.0 109.535 176.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -56.56 -44.81 81.34 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 118.341 0.519 . . . . 0.0 111.316 178.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 29.5 tp -61.73 -49.21 77.34 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.43 1.092 . . . . 0.0 110.171 -178.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.8 mmt -62.31 -40.5 96.52 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.025 0.53 . . . . 0.0 110.678 177.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -59.67 -47.62 84.89 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 118.291 0.496 . . . . 0.0 110.155 172.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -54.09 -48.59 70.51 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.047 0.539 . . . . 0.0 110.826 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 39.7 mt -56.61 -57.84 10.66 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 120.886 0.374 . . . . 0.0 110.324 171.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -74.63 70.75 1.85 Allowed 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.965 0.906 . . . . 0.0 111.047 -177.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.78 57.6 1.31 Allowed 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 169.63 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 67.02 -38.73 0.34 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 127.38 2.272 . . . . 0.0 113.189 -169.638 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -74.67 49.59 0.4 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.974 0.91 . . . . 0.0 112.137 176.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -47.92 -38.07 15.72 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 122.425 1.107 . . . . 0.0 109.879 169.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.427 ' H ' ' CD ' ' A' ' 66' ' ' GLN . 3.7 mp0 -54.42 -49.25 70.39 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 127.141 2.176 . . . . 0.0 110.91 178.774 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -142.42 97.13 3.06 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.918 1.687 . . . . 0.0 111.288 -177.105 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 50.8 t -90.32 109.97 21.43 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 104.796 -2.298 . . . . 0.0 104.796 178.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -93.03 169.48 10.39 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.746 -167.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -50.54 -45.55 56.94 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.824 0.675 . . . . 0.0 112.824 -170.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -59.22 -35.87 74.41 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.268 -0.895 . . . . 0.0 111.445 177.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -72.87 -40.13 65.88 Favored 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 121.772 -0.58 . . . . 0.0 109.549 177.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -56.02 -46.55 78.75 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.285 0.564 . . . . 0.0 110.62 172.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 13.2 mm -56.54 -51.29 67.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 C-N-CA 123.55 0.74 . . . . 0.0 110.011 174.252 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.7 m -55.15 -42.17 72.76 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.714 -0.616 . . . . 0.0 110.555 177.125 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -58.24 -42.5 86.5 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.314 1.045 . . . . 0.0 111.26 174.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.3 tt -53.36 -53.24 53.9 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 173.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.16 -53.82 21.8 Favored Glycine 0 CA--C 1.525 0.697 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.656 176.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.02 -55.82 28.26 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 117.418 0.609 . . . . 0.0 110.923 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.86 -53.86 35.7 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.377 1.071 . . . . 0.0 109.636 -179.241 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.82 -45.78 89.2 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.321 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 26.5 ttt -62.24 -38.71 90.29 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.768 -0.582 . . . . 0.0 110.813 179.278 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.4 mp -58.57 -41.18 81.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 124.18 0.992 . . . . 0.0 109.553 173.109 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -73.64 55.15 0.5 Allowed 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 118.915 0.78 . . . . 0.0 110.403 169.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -63.65 -35.07 79.33 Favored 'General case' 0 N--CA 1.456 -0.125 0 O-C-N 121.235 -0.915 . . . . 0.0 111.735 -169.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -51.24 -55.91 15.69 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.777 0.831 . . . . 0.0 109.572 170.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.18 -36.59 84.69 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 122.013 -0.429 . . . . 0.0 110.271 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 14.2 tp -55.17 -68.59 0.18 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 119.43 -0.319 . . . . 0.0 110.853 176.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.7 1.61 19.59 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 -168.486 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.133 0 CA-C-O 118.008 -1.44 . . . . 0.0 111.721 -179.601 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.476 0.861 0 N-CA-C 110.24 -0.282 . . . . 0.0 110.24 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.03 154.2 38.46 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 122.078 -0.389 . . . . 0.0 110.629 174.29 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 19.1 m 57.74 65.63 3.3 Favored Pre-proline 0 CA--C 1.539 0.534 0 C-N-CA 123.779 0.831 . . . . 0.0 112.522 178.05 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -55.18 -36.44 93.2 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 123.031 2.487 . . . . 0.0 111.813 175.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 54.3 tp -53.18 -52.13 59.82 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.878 -0.514 . . . . 0.0 110.165 171.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -63.59 -40.49 97.07 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 122.266 -0.271 . . . . 0.0 110.631 -177.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -55.42 -45.4 76.76 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 171.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.3 -47.59 85.28 Favored 'General case' 0 C--O 1.236 0.356 0 O-C-N 121.948 -0.47 . . . . 0.0 110.878 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 44.1 mm -50.94 -51.46 20.71 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 171.133 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.25 -54.08 10.59 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 125.347 1.451 . . . . 0.0 112.207 176.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 87.8 mt -58.47 -55.51 34.11 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 117.781 0.791 . . . . 0.0 110.245 179.109 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -59.2 -54.59 45.18 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.197 0.522 . . . . 0.0 110.463 -174.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 7.3 tt -61.3 -39.97 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.29 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.14 -47.78 66.0 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 123.924 0.773 . . . . 0.0 111.377 174.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 40.3 mt -59.58 -54.78 29.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 O-C-N 121.874 -0.78 . . . . 0.0 109.195 175.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -60.19 -27.77 67.41 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 121.566 0.698 . . . . 0.0 112.433 -177.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 48.0 t60 -56.37 -30.1 62.25 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 123.912 0.885 . . . . 0.0 111.026 177.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -54.86 -43.52 73.17 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.647 0.658 . . . . 0.0 110.452 176.342 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -77.61 -49.75 13.94 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 4.1 m -51.81 -37.85 53.39 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.268 0.627 . . . . 0.0 111.883 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.6 -22.61 40.07 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 125.375 1.464 . . . . 0.0 113.275 -179.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -63.65 -22.75 67.07 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.952 1.376 . . . . 0.0 111.293 174.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 74.8 -56.68 0.63 Allowed 'General case' 0 C--N 1.34 0.191 0 C-N-CA 126.234 1.814 . . . . 0.0 110.873 174.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.1 -30.62 47.2 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 123.955 0.788 . . . . 0.0 112.204 177.09 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -64.98 -17.36 64.36 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.288 0.635 . . . . 0.0 112.637 176.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 25.2 mtmm 72.98 -66.25 0.32 Allowed 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 127.284 2.233 . . . . 0.0 110.334 -175.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -179.06 54.61 0.01 OUTLIER 'General case' 0 C--O 1.234 0.248 0 C-N-CA 126.641 1.976 . . . . 0.0 106.783 -178.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 16.9 p -140.92 151.63 44.37 Favored 'General case' 0 N--CA 1.442 -0.826 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 -174.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 5.1 tt -94.17 97.98 10.65 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 104.066 -2.568 . . . . 0.0 104.066 168.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.85 166.0 13.31 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.992 0.917 . . . . 0.0 108.905 -170.551 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 6.0 tmtp? -50.39 -41.04 51.4 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 119.237 0.926 . . . . 0.0 112.083 -174.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -58.02 -41.36 82.98 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.83 -0.544 . . . . 0.0 111.468 174.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -71.15 -36.4 72.03 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.862 0.865 . . . . 0.0 110.195 178.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 tt -58.71 -50.03 75.42 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 172.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.33 -46.44 86.21 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.26 0.624 . . . . 0.0 110.968 175.541 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -53.82 -53.83 46.87 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 122.968 0.507 . . . . 0.0 110.045 176.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 66.8 tp -56.96 -49.3 76.13 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.657 0.783 . . . . 0.0 110.461 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 29.0 mt -50.65 -53.54 12.71 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.151 0 C-N-CA 123.268 0.627 . . . . 0.0 109.53 173.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -53.93 -52.2 61.38 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.066 0.546 . . . . 0.0 110.478 -179.043 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -57.63 -51.81 68.0 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 118.006 0.366 . . . . 0.0 111.928 178.065 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -59.79 -37.12 78.22 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 120.258 -0.577 . . . . 0.0 111.409 179.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 38.6 tp -75.26 66.15 1.7 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.833 1.253 . . . . 0.0 110.054 -174.353 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 21.8 p -138.81 176.37 8.75 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.909 1.283 . . . . 0.0 109.676 -177.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 33.9 pt -75.56 -36.52 34.92 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 122.97 0.508 . . . . 0.0 111.376 -178.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -55.25 -43.0 84.12 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 123.533 0.587 . . . . 0.0 112.368 -173.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.69 -15.76 63.11 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.741 1.617 . . . . 0.0 112.642 177.364 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt 70.15 -69.43 0.17 Allowed 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 126.128 1.771 . . . . 0.0 111.821 171.216 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -100.37 37.78 1.62 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.57 1.148 . . . . 0.0 109.459 175.441 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -36.04 -54.86 0.77 Allowed 'General case' 0 C--O 1.223 -0.327 0 C-N-CA 125.041 1.337 . . . . 0.0 113.102 179.416 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -65.02 -33.52 76.24 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 119.534 1.061 . . . . 0.0 112.764 -173.31 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.88 -41.3 95.71 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 174.061 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -62.55 -42.05 99.29 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 118.051 -0.976 . . . . 0.0 110.785 171.021 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 14.3 mm -58.17 -52.61 56.6 Favored 'Isoleucine or valine' 0 C--N 1.344 0.352 0 CA-C-N 120.126 1.33 . . . . 0.0 109.793 -174.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.1 m -58.76 -46.61 90.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.263 -174.246 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -63.64 -50.57 68.8 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 177.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 54.9 tp -56.48 -57.28 13.02 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.357 1.063 . . . . 0.0 110.195 -174.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 21.4 ptt? -58.75 -44.42 90.56 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.089 0.404 . . . . 0.0 110.269 -175.494 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -57.92 -57.23 13.72 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 122.743 0.417 . . . . 0.0 110.671 177.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -64.97 -35.39 81.02 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 122.428 0.291 . . . . 0.0 111.466 -175.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.56 -48.5 69.43 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.108 0.963 . . . . 0.0 110.214 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -69.28 79.95 0.36 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 122.614 0.366 . . . . 0.0 111.53 -173.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -72.09 66.57 0.62 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.723 0.809 . . . . 0.0 109.125 172.131 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 68.14 -55.27 0.51 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 126.845 2.058 . . . . 0.0 113.646 -177.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 55.5 mttm -77.4 63.9 2.66 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.032 0.933 . . . . 0.0 112.073 -169.08 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -46.9 -41.37 15.8 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.338 1.055 . . . . 0.0 112.561 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 9.7 tp60 -49.67 -57.36 7.37 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 123.423 0.689 . . . . 0.0 110.894 179.04 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -150.44 126.98 10.82 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.822 167.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 35.0 m -93.91 138.85 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 N-CA-C 106.167 -1.79 . . . . 0.0 106.167 169.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -88.65 159.61 17.77 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 -169.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -43.85 -44.45 6.9 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 178.371 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -58.51 -39.38 79.92 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.321 -0.862 . . . . 0.0 112.141 176.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -72.37 -39.91 67.68 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.436 -0.79 . . . . 0.0 110.18 178.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -56.22 -46.41 79.51 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 121.289 0.566 . . . . 0.0 110.003 170.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 10.2 mm -59.1 -46.54 91.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 C-N-CA 123.502 0.721 . . . . 0.0 110.014 175.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 28.6 m -58.17 -41.84 84.72 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.061 -1.024 . . . . 0.0 110.723 175.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -56.87 -44.45 82.24 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.905 0.882 . . . . 0.0 110.607 172.209 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.91 -50.64 65.93 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 172.731 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -45.72 -59.05 5.08 Favored Glycine 0 CA--C 1.523 0.564 0 C-N-CA 123.987 0.803 . . . . 0.0 111.573 174.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.7 -51.83 67.3 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 117.959 0.879 . . . . 0.0 111.44 178.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 63.4 tp -55.87 -34.76 65.77 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 125.026 1.33 . . . . 0.0 111.504 -177.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.25 -47.74 15.39 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.464 0.705 . . . . 0.0 111.232 174.149 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 48.0 ttm -52.23 -34.62 46.65 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 126.526 1.93 . . . . 0.0 112.464 -173.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 20.5 pt -57.73 -29.44 34.96 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 176.249 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -78.91 55.97 1.85 Allowed 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 119.866 1.212 . . . . 0.0 107.922 169.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -56.66 -34.33 67.24 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 -165.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -49.65 -39.11 35.0 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.561 0.745 . . . . 0.0 111.669 174.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -77.1 -22.99 51.9 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 122.921 0.488 . . . . 0.0 111.776 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 4.8 tt -76.61 -50.54 13.55 Favored 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 174.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 42.0 tttm 64.64 -70.15 0.08 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.993 2.117 . . . . 0.0 111.763 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.3 0 CA-C-O 118.059 -1.412 . . . . 0.0 112.475 -172.405 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.4 mtt . . . . . 0 N--CA 1.477 0.904 0 CA-C-O 121.035 0.445 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 61.33 -85.84 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 125.618 1.567 . . . . 0.0 111.802 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -50.92 -54.09 40.8 Favored Pre-proline 0 CA--C 1.534 0.335 0 CA-C-O 117.594 -1.193 . . . . 0.0 114.06 -168.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -58.45 -53.98 3.46 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 122.312 2.008 . . . . 0.0 111.246 -175.57 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 83.0 mt -58.09 -50.5 73.24 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -58.79 -55.03 40.38 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.534 0.734 . . . . 0.0 111.8 -176.314 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -63.3 -34.2 77.18 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.085 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.73 -60.32 3.46 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-N 118.308 0.504 . . . . 0.0 110.043 178.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.4 tt -60.42 -44.66 96.64 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -178.01 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.94 -53.75 32.11 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 176.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 51.2 tp -59.71 -51.94 67.61 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 117.195 0.497 . . . . 0.0 110.328 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 73.5 mt -55.17 -55.26 33.21 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 122.443 0.297 . . . . 0.0 111.065 -179.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 55.4 mt -55.0 -56.35 11.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 178.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -51.55 -55.73 18.71 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 111.45 -0.66 . . . . 0.0 111.45 -177.093 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 21.2 mm -56.68 -53.12 45.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 O-C-N 122.496 -0.414 . . . . 0.0 109.95 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -64.09 -46.36 84.61 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 117.904 0.32 . . . . 0.0 111.793 -173.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 57.6 t60 -49.95 -51.58 40.23 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 125.321 1.448 . . . . 0.0 109.873 170.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -55.32 18.05 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -172.385 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -48.82 -66.98 0.31 Allowed 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 126.553 1.941 . . . . 0.0 110.272 176.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -64.58 -39.46 93.77 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.752 0.311 . . . . 0.0 110.658 -174.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.28 -60.8 7.27 Favored Glycine 0 C--N 1.336 0.54 0 C-N-CA 124.35 0.976 . . . . 0.0 111.301 178.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -58.9 -43.95 91.13 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 117.078 0.439 . . . . 0.0 110.978 -179.315 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -67.59 -40.48 84.81 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -175.54 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -177.36 45.64 0.1 OUTLIER Glycine 0 CA--C 1.524 0.643 0 CA-C-O 119.173 -0.793 . . . . 0.0 113.717 178.162 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.7 t70 66.97 -66.35 0.19 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.23 1.812 . . . . 0.0 114.085 170.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -52.51 125.81 17.52 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 125.039 1.336 . . . . 0.0 110.24 -171.255 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -79.45 61.4 3.48 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 121.556 0.694 . . . . 0.0 109.201 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 46.1 p -143.21 142.97 31.57 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 105.501 -2.037 . . . . 0.0 105.501 -174.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.4 tt -88.45 83.12 6.85 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 103.707 -2.701 . . . . 0.0 103.707 -174.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.63 174.18 7.32 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 126.694 1.998 . . . . 0.0 108.978 -170.708 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -48.13 -43.67 31.38 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.72 -0.613 . . . . 0.0 112.648 -170.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -56.56 -56.84 16.24 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.08 0.552 . . . . 0.0 110.584 175.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 55.4 mp0 -53.5 -46.04 69.89 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.621 1.168 . . . . 0.0 110.034 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.6 tt -60.26 -51.51 69.26 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 122.975 0.51 . . . . 0.0 109.872 178.156 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.3 ttmm -53.49 -48.47 68.92 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 123.231 0.612 . . . . 0.0 110.343 178.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -59.13 -50.6 73.45 Favored 'General case' 0 N--CA 1.454 -0.247 0 O-C-N 121.782 -0.574 . . . . 0.0 109.697 177.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 55.8 tp -52.38 -56.27 16.07 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 122.864 0.465 . . . . 0.0 110.553 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 33.8 pt -60.6 -43.05 93.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.494 -176.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -55.34 -51.68 65.96 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 118.987 0.812 . . . . 0.0 111.171 175.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -55.85 -47.13 77.82 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.437 0.295 . . . . 0.0 110.936 178.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -61.99 -33.88 75.13 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 118.726 -0.654 . . . . 0.0 112.071 177.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 41.9 mt -77.29 -36.67 53.98 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 118.78 0.718 . . . . 0.0 112.206 -175.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.1 t -70.08 -177.8 1.46 Allowed 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 118.45 0.568 . . . . 0.0 111.135 174.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 84.0 mt 60.1 -76.83 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 C-N-CA 126.753 2.021 . . . . 0.0 110.636 -174.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.54 -24.2 59.25 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 178.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.2 m 76.67 83.11 0.09 Allowed 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.52 1.528 . . . . 0.0 113.013 170.077 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 65.9 mttm 73.11 -53.3 0.7 Allowed 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 126.492 1.917 . . . . 0.0 115.204 167.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 82.8 mt -49.48 -33.37 14.23 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.474 1.11 . . . . 0.0 113.034 -171.315 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.401 ' H ' ' CD ' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -53.29 -11.98 0.35 Allowed 'General case' 0 C--O 1.226 -0.162 0 C-N-CA 125.77 1.628 . . . . 0.0 113.024 174.824 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -50.7 -37.0 38.82 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 119.874 1.215 . . . . 0.0 112.014 169.16 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.73 -39.13 16.87 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.371 0.668 . . . . 0.0 111.152 171.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -79.92 -46.55 16.56 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 123.631 0.772 . . . . 0.0 110.504 171.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . 0.256 0.9 OUTLIER -58.97 -37.33 66.81 Favored 'Isoleucine or valine' 0 C--N 1.345 0.41 0 C-N-CA 118.564 -1.255 . . . . 0.0 111.928 -171.263 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 34.2 m -61.26 -39.76 83.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-N 119.024 0.829 . . . . 0.0 110.874 177.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? -67.23 -47.84 69.6 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.5 mp -59.81 -48.32 82.16 Favored 'General case' 0 C--O 1.225 -0.199 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 178.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.7 tpt -51.69 -55.23 20.71 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.373 1.069 . . . . 0.0 110.006 174.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -52.96 -52.28 58.6 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.204 0.602 . . . . 0.0 111.002 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -57.03 -55.16 38.34 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 122.649 0.38 . . . . 0.0 111.131 178.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 60.0 mt -53.41 -42.17 66.72 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.198 0.599 . . . . 0.0 110.447 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -59.38 -21.78 60.4 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 -179.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 58.9 mmt-85 -41.97 -39.29 1.84 Allowed 'General case' 0 C--N 1.344 0.349 0 C-N-CA 125.31 1.444 . . . . 0.0 114.493 -170.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.4 50.15 0.51 Allowed 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.407 1.003 . . . . 0.0 111.78 174.566 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? 37.89 36.85 0.11 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 128.349 2.66 . . . . 0.0 114.628 -177.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -175.8 140.53 0.44 Allowed 'General case' 0 CA--C 1.523 -0.095 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.82 38.97 0.27 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.373 1.069 . . . . 0.0 112.138 -178.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -143.13 131.47 22.13 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 106.23 -1.767 . . . . 0.0 106.23 177.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.4 t -120.9 139.85 46.88 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 C-N-CA 123.34 0.656 . . . . 0.0 110.053 -170.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -92.24 155.97 17.61 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 124.096 0.958 . . . . 0.0 109.798 -175.143 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -38.26 -62.41 0.58 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.392 1.477 . . . . 0.0 113.946 -174.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -60.75 -31.88 71.19 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 121.055 -1.028 . . . . 0.0 110.331 -176.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -77.73 -28.22 50.75 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 121.542 -0.724 . . . . 0.0 110.131 179.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -66.04 -46.43 77.86 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 171.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.5 mp -56.78 -49.07 79.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 O-C-N 122.111 -0.368 . . . . 0.0 110.193 171.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 30.1 m -61.18 -37.5 83.16 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 120.862 -1.149 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -58.36 -44.06 88.65 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.072 0.949 . . . . 0.0 110.677 171.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.2 tt -54.2 -51.58 63.96 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 171.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -46.16 -54.98 7.92 Favored Glycine 0 C--O 1.222 -0.632 0 CA-C-O 119.094 -0.837 . . . . 0.0 111.996 175.234 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.06 -56.19 22.57 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 118.153 0.977 . . . . 0.0 110.598 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 96.6 mt -52.21 -52.36 52.71 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 122.773 0.429 . . . . 0.0 110.818 -178.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.72 -48.98 76.88 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 120.624 0.25 . . . . 0.0 111.089 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 16.6 tmm? -56.5 -44.66 80.93 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 124.824 1.25 . . . . 0.0 111.022 -175.371 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 26.6 pt -60.82 -13.22 6.53 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 119.785 -0.766 . . . . 0.0 112.714 178.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -91.33 25.65 2.49 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.296 0.953 . . . . 0.0 111.486 170.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -45.14 -35.32 3.1 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.808 1.243 . . . . 0.0 112.198 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.4 mp0 -50.7 -38.62 48.14 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.352 1.061 . . . . 0.0 111.584 177.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.15 -36.18 81.06 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.739 0.416 . . . . 0.0 111.031 176.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 46.3 mt -71.61 -54.84 9.13 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 176.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -77.97 54.25 1.28 Allowed 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.665 -0.647 . . . . 0.0 109.81 176.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.141 0 CA-C-O 117.417 -1.769 . . . . 0.0 109.928 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 51.8 ttm . . . . . 0 N--CA 1.476 0.825 0 CA-C-O 120.505 0.193 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.35 174.89 12.87 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 125.086 1.354 . . . . 0.0 107.347 178.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -167.06 164.6 9.75 Favored Pre-proline 0 CA--C 1.535 0.367 0 C-N-CA 126.083 1.753 . . . . 0.0 106.759 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_exo -44.75 -45.93 13.06 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 123.893 3.062 . . . . 0.0 114.064 -178.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 86.2 mt -58.22 -41.72 84.7 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.976 -0.452 . . . . 0.0 111.336 177.493 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -67.44 -43.94 79.9 Favored 'General case' 0 CA--C 1.521 -0.171 0 O-C-N 121.819 -0.55 . . . . 0.0 109.692 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 14.4 tp60 -56.69 -42.77 79.65 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 174.159 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.76 -52.47 63.08 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 122.897 0.479 . . . . 0.0 109.861 -178.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 61.8 mt -49.06 -58.04 1.43 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 123.808 0.843 . . . . 0.0 109.106 174.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.26 -51.63 20.22 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 124.057 0.837 . . . . 0.0 111.489 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 5.6 tt -62.17 -54.72 36.99 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 122.405 -0.468 . . . . 0.0 110.496 -177.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 pp -64.35 -41.39 96.78 Favored 'General case' 0 C--O 1.237 0.412 0 O-C-N 122.02 -0.425 . . . . 0.0 111.961 -173.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 10.8 pt -66.42 -38.18 81.21 Favored 'Isoleucine or valine' 0 C--N 1.342 0.251 0 C-N-CA 120.125 -0.63 . . . . 0.0 109.719 172.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -52.61 -56.14 19.41 Favored Glycine 0 CA--C 1.528 0.869 0 C-N-CA 124.017 0.818 . . . . 0.0 111.807 176.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 6.9 tp -62.15 -46.87 95.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 117.961 0.881 . . . . 0.0 110.113 177.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -55.23 -43.55 74.66 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.306 0.503 . . . . 0.0 111.204 -178.429 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -55.06 -33.12 62.45 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 125.393 1.477 . . . . 0.0 112.464 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -56.91 -35.06 68.56 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 118.73 0.696 . . . . 0.0 110.322 178.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -81.0 -65.51 1.0 Allowed 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 169.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 18.8 m -72.63 71.8 1.0 Allowed 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 124.36 1.064 . . . . 0.0 110.313 178.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -167.63 -43.1 0.03 OUTLIER Glycine 0 CA--C 1.524 0.622 0 N-CA-C 107.243 -2.343 . . . . 0.0 107.243 -174.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -62.56 88.33 0.03 OUTLIER 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 106.731 -1.581 . . . . 0.0 106.731 167.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 73.13 -55.97 0.67 Allowed 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 126.002 1.721 . . . . 0.0 109.263 -168.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 61.18 59.48 9.96 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 109.761 -1.336 . . . . 0.0 109.761 178.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -44.14 -41.85 5.95 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 125.718 1.607 . . . . 0.0 111.825 -174.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -164.51 -158.14 0.4 Allowed 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 104.583 -2.377 . . . . 0.0 104.583 169.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 31.7 p-80 -67.38 65.2 0.07 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.472 0.709 . . . . 0.0 110.544 169.256 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 12.5 t -146.03 144.42 30.06 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.037 0.935 . . . . 0.0 110.224 -177.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 9.5 tt -97.45 108.14 20.8 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 105.096 -2.187 . . . . 0.0 105.096 169.199 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.8 m -92.4 171.05 9.3 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.47 0.708 . . . . 0.0 111.173 -169.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -47.26 -46.45 24.61 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.994 0.918 . . . . 0.0 111.894 179.044 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -50.19 -46.5 54.38 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.632 0.73 . . . . 0.0 110.522 173.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -71.07 -36.1 72.15 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 123.358 0.663 . . . . 0.0 110.997 -177.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 72.9 mt -58.63 -47.48 84.23 Favored 'General case' 0 C--O 1.226 -0.153 0 CA-C-N 118.932 0.787 . . . . 0.0 110.2 170.002 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -57.06 -53.8 53.97 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 118.288 0.495 . . . . 0.0 110.532 177.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -53.21 -50.65 64.27 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 117.791 0.269 . . . . 0.0 110.955 176.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 tt -53.67 -59.1 5.04 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.236 1.014 . . . . 0.0 109.852 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 76.6 mt -52.14 -50.29 36.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-N 118.12 0.418 . . . . 0.0 109.927 179.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -55.98 -44.18 78.31 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 122.879 0.472 . . . . 0.0 111.768 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -65.29 -58.38 6.07 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 118.449 0.568 . . . . 0.0 110.473 175.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -52.07 -30.98 28.34 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.548 1.139 . . . . 0.0 112.114 -177.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 56.4 tp -55.52 -34.89 65.05 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 118.318 -0.849 . . . . 0.0 112.302 176.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 14.6 t 3.27 102.55 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 128.115 2.566 . . . . 0.0 114.967 -172.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 43.0 mt 70.48 -65.16 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 C-N-CA 126.656 1.982 . . . . 0.0 110.519 -178.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 179.01 51.46 0.08 OUTLIER Glycine 0 CA--C 1.523 0.577 0 N-CA-C 109.961 -1.255 . . . . 0.0 109.961 179.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 49.9 m -80.51 54.09 1.98 Allowed 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.636 1.174 . . . . 0.0 110.327 -176.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -55.72 -43.83 76.91 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.781 1.232 . . . . 0.0 112.071 -170.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 6.2 tt -56.45 -54.78 41.72 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -57.41 -43.87 84.11 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -59.32 -43.95 92.62 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 119.876 -0.73 . . . . 0.0 111.843 177.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.93 -42.78 72.67 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 119.041 0.837 . . . . 0.0 109.824 175.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -61.05 -41.23 96.21 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 119.116 -0.469 . . . . 0.0 110.543 173.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 1.5 mp -66.65 -39.07 82.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-N 119.176 0.898 . . . . 0.0 110.122 -179.092 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 57.4 t -59.72 -49.81 82.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 175.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -56.04 -49.01 74.93 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.334 0.516 . . . . 0.0 110.681 176.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 tt -52.72 -57.63 9.49 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.711 0.804 . . . . 0.0 109.136 178.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 61.9 ttp -51.14 -49.98 59.78 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.655 1.182 . . . . 0.0 110.566 177.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -56.74 -50.78 71.22 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 122.925 0.49 . . . . 0.0 110.301 -178.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -64.7 -44.77 89.19 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 121.064 0.459 . . . . 0.0 111.395 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 31.6 tp -68.39 -46.52 69.79 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 125.404 1.482 . . . . 0.0 112.342 -173.357 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -79.02 65.07 4.09 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.531 0.733 . . . . 0.0 112.518 -167.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.03 -31.58 61.2 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.335 0.654 . . . . 0.0 110.204 169.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -69.38 2.13 3.29 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.482 1.113 . . . . 0.0 113.307 174.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? 76.1 -60.14 0.49 Allowed 'General case' 0 C--N 1.338 0.069 0 C-N-CA 125.918 1.687 . . . . 0.0 112.06 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -169.62 -163.89 0.41 Allowed 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 125.286 1.434 . . . . 0.0 109.234 -177.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 75.08 -68.65 0.2 Allowed 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 125.928 1.691 . . . . 0.0 112.416 169.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 13.2 mp0 -135.38 109.55 8.31 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 125.881 1.672 . . . . 0.0 108.622 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 20.2 t -92.41 115.91 32.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 N-CA-C 105.333 -2.099 . . . . 0.0 105.333 174.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -91.33 143.93 26.12 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 121.504 -0.747 . . . . 0.0 109.799 -168.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -52.38 -33.95 45.7 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.182 0.993 . . . . 0.0 113.048 -176.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -58.76 -32.69 69.5 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 120.818 -1.176 . . . . 0.0 111.415 175.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -64.57 -49.61 70.51 Favored 'General case' 0 C--O 1.225 -0.225 0 O-C-N 121.596 -0.69 . . . . 0.0 109.705 172.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -51.83 -47.19 64.46 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.639 0.776 . . . . 0.0 110.129 177.163 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 16.5 mm -63.95 -57.65 10.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 C-N-CA 122.979 0.511 . . . . 0.0 111.196 179.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 29.2 p -60.47 -33.67 72.92 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.265 -0.897 . . . . 0.0 111.132 -177.32 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -58.76 -48.92 79.55 Favored 'General case' 0 C--N 1.34 0.165 0 C-N-CA 125.914 1.685 . . . . 0.0 110.358 169.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.23 -48.24 62.16 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 172.367 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -51.94 -59.04 9.2 Favored Glycine 0 CA--C 1.524 0.639 0 CA-C-O 119.382 -0.677 . . . . 0.0 111.725 175.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.76 -49.26 68.6 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.335 1.067 . . . . 0.0 111.155 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 47.7 tp -59.12 -33.82 71.31 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.307 1.043 . . . . 0.0 111.033 -179.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.87 -50.14 25.7 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 118.342 0.519 . . . . 0.0 111.218 171.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 66.7 mtp -58.37 -19.91 39.54 Favored 'General case' 0 N--CA 1.46 0.047 0 C-N-CA 126.204 1.802 . . . . 0.0 113.574 -169.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 11.0 tp -51.26 -40.07 22.21 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 CA-C-N 118.47 0.577 . . . . 0.0 110.792 169.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 65.07 -41.21 0.3 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 127.319 2.248 . . . . 0.0 114.501 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -56.97 139.48 51.87 Favored 'General case' 0 N--CA 1.455 -0.211 0 O-C-N 120.7 -1.25 . . . . 0.0 107.673 167.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 66.56 -61.16 0.32 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.226 1.411 . . . . 0.0 111.855 -170.409 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.48 -55.63 17.84 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.689 1.195 . . . . 0.0 112.466 -176.314 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 94.9 mt -103.01 24.52 10.64 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.345 1.058 . . . . 0.0 109.51 169.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? 46.93 34.5 2.73 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.748 1.219 . . . . 0.0 111.919 -173.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.095 0 CA-C-O 117.184 -1.898 . . . . 0.0 110.278 -175.593 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.2 mtm . . . . . 0 N--CA 1.478 0.93 0 CA-C-O 119.262 -0.399 . . . . 0.0 111.978 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.95 58.37 0.07 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 126.954 2.101 . . . . 0.0 112.426 -179.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.1 m -54.15 -42.89 95.96 Favored Pre-proline 0 N--CA 1.446 -0.627 0 C-N-CA 125.715 1.606 . . . . 0.0 113.347 -169.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -46.04 -36.31 15.95 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 122.76 2.307 . . . . 0.0 113.809 175.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 88.0 mt -59.71 -49.49 77.55 Favored 'General case' 0 C--N 1.341 0.205 0 CA-C-N 118.504 0.593 . . . . 0.0 109.952 175.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -37.21 74.52 Favored 'General case' 0 N--CA 1.454 -0.238 0 O-C-N 122.07 -0.393 . . . . 0.0 110.886 -176.535 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.42 -50.99 68.36 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 170.035 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.43 -53.89 53.0 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 122.463 0.305 . . . . 0.0 110.218 -175.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.8 mt -55.24 -51.79 51.93 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 C-N-CA 123.224 0.61 . . . . 0.0 109.379 177.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.56 -58.51 9.0 Favored Glycine 0 CA--C 1.526 0.721 0 C-N-CA 124.0 0.81 . . . . 0.0 111.353 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.16 -50.53 73.18 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 117.153 0.476 . . . . 0.0 110.441 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.8 tp -54.45 -55.87 24.46 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.767 0.827 . . . . 0.0 110.935 -176.068 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mp -63.68 -41.83 93.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -44.97 -57.82 5.24 Favored Glycine 0 CA--C 1.526 0.769 0 C-N-CA 125.769 1.652 . . . . 0.0 112.23 175.28 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.8 tp -74.2 -45.27 47.97 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 CA-C-N 117.618 0.709 . . . . 0.0 110.72 178.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -51.23 -50.3 59.41 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 122.664 0.386 . . . . 0.0 110.989 -172.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -61.37 -32.76 72.69 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 119.824 -0.751 . . . . 0.0 111.84 -176.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -71.9 -52.92 14.91 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 178.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -55.06 -51.1 67.39 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.336 0.654 . . . . 0.0 110.582 -179.373 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 90.4 p -72.61 -34.93 67.7 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.117 0.567 . . . . 0.0 111.373 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -50.66 -27.97 14.25 Favored Glycine 0 CA--C 1.526 0.769 0 C-N-CA 125.309 1.433 . . . . 0.0 113.178 177.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -48.95 -38.23 22.34 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 117.804 0.802 . . . . 0.0 111.925 171.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -68.76 -54.92 13.15 Favored 'General case' 0 N--CA 1.457 -0.111 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 173.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.78 -176.91 39.79 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -56.03 -23.88 35.95 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.747 1.219 . . . . 0.0 112.933 -177.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -67.95 -7.06 25.49 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.825 0.85 . . . . 0.0 112.322 177.095 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.8 p-80 47.08 62.6 2.31 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.82 1.648 . . . . 0.0 111.661 170.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.9 t -130.69 152.69 49.78 Favored 'General case' 0 N--CA 1.443 -0.825 0 C-N-CA 125.311 1.444 . . . . 0.0 107.85 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.9 mp -92.88 116.66 29.24 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 106.525 -1.658 . . . . 0.0 106.525 174.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.5 p -97.6 173.94 6.89 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 124.662 1.185 . . . . 0.0 108.335 168.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -43.08 -34.96 1.15 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.142 0.577 . . . . 0.0 111.881 168.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -59.75 -62.51 1.82 Allowed 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 118.679 0.672 . . . . 0.0 110.108 178.277 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.5 mp0 -57.4 -44.18 84.34 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 122.891 0.476 . . . . 0.0 109.947 -177.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.7 tt -54.23 -62.75 1.45 Allowed 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.468 0.707 . . . . 0.0 109.307 177.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -56.53 -53.65 55.02 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.227 0.611 . . . . 0.0 109.564 -175.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.75 -53.66 14.56 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.232 0.613 . . . . 0.0 110.06 178.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.8 tp -57.5 -62.46 1.76 Allowed 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 121.024 -0.27 . . . . 0.0 110.592 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 34.6 pt -63.79 -34.49 68.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 119.729 -0.788 . . . . 0.0 111.462 -170.372 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -65.63 -52.7 49.8 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.111 0.964 . . . . 0.0 110.099 178.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -62.24 -44.31 96.84 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.456 0.571 . . . . 0.0 111.065 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -61.6 -35.49 78.0 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 173.378 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.2 tp 60.78 44.3 11.17 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 125.038 1.335 . . . . 0.0 107.89 -167.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -52.61 -35.35 54.28 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.471 1.108 . . . . 0.0 110.973 -174.426 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.459 ' H ' HD12 ' A' ' 44' ' ' ILE . 1.9 mp -37.82 -43.79 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 127.029 2.132 . . . . 0.0 111.04 171.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -47.49 -36.31 11.56 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 124.511 1.053 . . . . 0.0 113.581 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.8 p -68.98 -30.52 68.95 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 118.355 1.077 . . . . 0.0 111.978 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.2 tptm 59.68 -73.13 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 127.036 2.134 . . . . 0.0 112.672 178.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 80.2 mt -55.63 141.67 36.75 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 171.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . 0.414 1.8 pp0? 60.4 -42.62 0.1 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 127.099 2.159 . . . . 0.0 114.62 -169.048 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -60.67 -34.71 74.73 Favored 'General case' 0 C--O 1.225 -0.212 0 O-C-N 120.186 -1.571 . . . . 0.0 112.392 176.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.11 -43.94 31.38 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.501 0.667 . . . . 0.0 109.883 168.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -72.71 -37.48 67.79 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 118.168 -0.92 . . . . 0.0 110.693 175.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 65.1 mt -56.59 -56.09 15.86 Favored 'Isoleucine or valine' 0 C--N 1.345 0.399 0 CA-C-N 120.001 1.273 . . . . 0.0 109.625 175.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.5 p -63.07 -39.62 85.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-O 119.146 -0.454 . . . . 0.0 110.62 -177.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -56.97 -51.87 67.5 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.926 0.784 . . . . 0.0 110.801 174.265 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.9 mt -59.9 -48.41 81.8 Favored 'General case' 0 N--CA 1.455 -0.177 0 O-C-N 122.141 -0.349 . . . . 0.0 110.282 -178.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 54.5 mtt -54.62 -53.34 55.92 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 176.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -52.98 -52.95 56.52 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.734 0.814 . . . . 0.0 110.977 178.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -63.52 -49.17 74.57 Favored 'General case' 0 N--CA 1.455 -0.186 0 O-C-N 122.269 -0.269 . . . . 0.0 111.485 -177.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 56.0 tp -57.04 -45.3 83.26 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 178.324 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -59.9 -52.35 65.78 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 122.639 0.375 . . . . 0.0 110.588 178.153 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.8 ttp-105 -50.45 -43.64 55.27 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 122.472 0.309 . . . . 0.0 110.19 175.265 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.28 -45.2 81.27 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 119.166 -0.445 . . . . 0.0 111.095 -178.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -107.07 29.22 7.29 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.791 0.836 . . . . 0.0 112.578 -169.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.4 t0 44.58 44.98 7.68 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.644 1.178 . . . . 0.0 111.699 -178.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . 0.308 0.9 OUTLIER 50.44 13.35 0.12 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 128.181 2.592 . . . . 0.0 116.3 -174.844 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -94.62 90.25 6.07 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 172.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 79.6 t -92.08 99.96 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 N-CA-C 105.445 -2.058 . . . . 0.0 105.445 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -90.77 170.14 10.37 Favored 'General case' 0 N--CA 1.461 0.124 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 -175.069 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -44.27 -51.25 8.5 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -169.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -61.61 -35.45 77.9 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.201 -0.937 . . . . 0.0 111.465 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -71.18 -38.9 72.12 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 121.77 -0.581 . . . . 0.0 110.027 176.411 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -56.05 -50.2 71.62 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.417 0.553 . . . . 0.0 109.907 171.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 20.3 mm -54.68 -50.24 61.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 O-C-N 121.967 -0.458 . . . . 0.0 109.98 176.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.9 m -55.3 -42.06 73.16 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.768 -0.582 . . . . 0.0 110.596 175.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -62.43 -37.99 88.01 Favored 'General case' 0 C--O 1.224 -0.259 0 C-N-CA 123.316 0.646 . . . . 0.0 111.09 176.331 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.2 tt -56.1 -49.89 72.58 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 173.213 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.42 -56.19 13.93 Favored Glycine 0 CA--C 1.53 0.969 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.881 172.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.45 -49.06 78.67 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 117.628 0.714 . . . . 0.0 111.652 -177.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.7 tp -52.99 -57.45 10.29 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.155 0.982 . . . . 0.0 109.053 176.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.4 -41.62 66.15 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 122.931 0.492 . . . . 0.0 111.247 178.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 39.4 ttm -55.67 -33.1 63.8 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.23 0.612 . . . . 0.0 111.7 178.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 36.2 mm -60.46 -29.88 45.37 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 CA-C-N 119.649 1.113 . . . . 0.0 111.255 174.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -91.6 -2.09 57.23 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.209 1.003 . . . . 0.0 112.244 175.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.0 p30 12.76 -83.12 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 128.828 2.851 . . . . 0.0 115.143 174.283 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -40.0 -42.12 1.33 Allowed 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.656 1.582 . . . . 0.0 111.909 -177.042 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -43.85 -34.24 1.56 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.962 1.305 . . . . 0.0 113.564 178.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -131.24 -10.02 3.73 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 113.882 1.068 . . . . 0.0 113.882 175.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -90.31 -8.06 51.82 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.982 0.81 . . . . 0.0 111.849 172.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.298 0 CA-C-O 117.853 -1.526 . . . . 0.0 110.891 176.902 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.474 0.746 0 N-CA-C 111.343 0.127 . . . . 0.0 111.343 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 58.48 -71.01 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.269 1.827 . . . . 0.0 113.166 -175.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 173.92 -67.31 0.0 OUTLIER Pre-proline 0 CA--C 1.539 0.548 0 C-N-CA 127.99 2.516 . . . . 0.0 109.66 176.135 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -60.87 -45.93 18.38 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 122.077 1.851 . . . . 0.0 111.338 178.077 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 60.3 tp -59.52 -46.56 88.51 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 122.829 0.452 . . . . 0.0 110.155 176.232 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -54.58 -49.14 71.08 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 118.054 0.388 . . . . 0.0 111.034 175.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.34 -42.53 70.34 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 122.973 0.509 . . . . 0.0 110.638 173.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.47 -50.53 58.69 Favored 'General case' 0 CA--C 1.528 0.123 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -175.296 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 91.1 mt -55.18 -50.4 64.41 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.165 0 C-N-CA 123.692 0.797 . . . . 0.0 108.967 174.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.47 -54.46 24.1 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 124.05 0.833 . . . . 0.0 111.084 178.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 55.0 tp -57.34 -51.67 68.46 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.816 0.447 . . . . 0.0 110.428 179.058 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 21.8 tp -53.79 -56.46 17.34 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.252 1.021 . . . . 0.0 111.023 -179.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 23.8 mm -57.02 -44.1 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 123.941 0.897 . . . . 0.0 109.053 178.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -50.27 -66.84 2.14 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 123.968 0.794 . . . . 0.0 111.265 174.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 7.8 tp -55.64 -43.97 75.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-N 117.948 0.874 . . . . 0.0 110.555 -176.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -55.61 -48.39 74.98 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 122.04 -0.412 . . . . 0.0 111.232 176.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -62.79 -31.45 72.43 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.2 0.6 . . . . 0.0 111.467 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -56.83 -41.2 77.44 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 119.353 0.979 . . . . 0.0 110.042 175.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -71.9 -66.76 0.6 Allowed 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 172.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 45.9 m -73.75 69.79 1.35 Allowed 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 124.426 1.091 . . . . 0.0 109.344 179.19 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 174.75 -20.24 0.05 OUTLIER Glycine 0 CA--C 1.531 1.083 0 C-N-CA 126.696 2.093 . . . . 0.0 110.981 -170.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -71.21 71.19 0.59 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.566 1.147 . . . . 0.0 112.79 -173.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 65.36 -68.45 0.11 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 128.094 2.558 . . . . 0.0 113.241 169.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.09 -61.66 1.56 Allowed Glycine 0 CA--C 1.523 0.54 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 -177.119 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.36 40.1 0.48 Allowed 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.921 0.888 . . . . 0.0 111.209 -169.502 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.59 53.26 1.83 Allowed 'General case' 0 CA--C 1.531 0.218 0 O-C-N 121.021 -1.05 . . . . 0.0 111.702 -175.098 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -150.99 -53.49 0.14 Allowed 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.547 1.139 . . . . 0.0 111.259 -173.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 36.0 p -146.91 173.15 12.68 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 125.686 1.594 . . . . 0.0 107.115 -169.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 91.8 mt -88.25 76.89 8.34 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 105.438 -2.06 . . . . 0.0 105.438 174.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 14.0 m -89.62 171.41 9.7 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 114.462 -1.245 . . . . 0.0 108.524 -178.331 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -24.75 -62.35 0.06 Allowed 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 126.931 2.093 . . . . 0.0 114.258 -168.504 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -53.94 -52.29 61.11 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 121.233 0.539 . . . . 0.0 109.945 -176.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -63.89 -41.84 97.62 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 123.762 0.825 . . . . 0.0 110.849 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 52.2 tp -58.33 -51.57 69.24 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 179.269 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -63.24 -47.96 80.27 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 122.279 -0.263 . . . . 0.0 110.61 -178.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -53.53 -49.26 68.0 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 122.211 -0.306 . . . . 0.0 110.806 173.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 50.4 tp -55.31 -60.02 3.99 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 118.323 -0.846 . . . . 0.0 109.53 -179.052 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 24.2 pt -58.93 -41.84 84.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 CA-C-N 119.491 1.042 . . . . 0.0 110.75 -176.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -54.53 -46.21 73.51 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 122.511 0.324 . . . . 0.0 110.804 177.373 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -80.64 -23.25 39.82 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -65.92 -37.44 86.07 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.139 -0.976 . . . . 0.0 109.824 174.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 60.6 tp -41.73 129.27 3.35 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.509 1.124 . . . . 0.0 111.875 177.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 8.9 t -158.93 -177.99 6.92 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 171.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 75.5 mt -132.88 149.33 31.76 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 C-N-CA 125.546 1.538 . . . . 0.0 108.391 -170.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -152.57 -160.7 9.77 Favored Glycine 0 CA--C 1.529 0.916 0 N-CA-C 108.278 -1.929 . . . . 0.0 108.278 172.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 8.7 p -80.5 55.93 2.44 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.82 1.31 . . . . 0.0 110.995 -179.228 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 23.8 tptm 70.67 -58.22 0.56 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 127.247 2.219 . . . . 0.0 112.415 172.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 8.1 mp -75.28 58.28 0.94 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.561 1.545 . . . . 0.0 108.556 174.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -168.29 -59.36 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 130.434 3.493 . . . . 0.0 103.727 -176.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -51.64 -45.67 63.42 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 122.45 0.3 . . . . 0.0 110.803 172.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -49.46 -44.84 46.09 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.295 0.569 . . . . 0.0 110.505 173.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -69.14 -35.07 75.97 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 118.615 -0.707 . . . . 0.0 110.672 176.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 1.7 mp -62.48 -47.59 92.26 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 119.62 1.1 . . . . 0.0 108.901 175.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 71.5 t -56.76 -48.88 80.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 C-N-CA 123.188 0.595 . . . . 0.0 109.626 177.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -56.11 -48.55 75.96 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 122.184 -0.322 . . . . 0.0 111.053 176.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 13.6 tp -63.09 -47.13 84.19 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.268 0.627 . . . . 0.0 110.132 -176.203 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 34.2 ttp -54.79 -52.84 61.36 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.908 0.883 . . . . 0.0 109.951 174.054 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -54.09 -50.96 65.63 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 122.89 0.476 . . . . 0.0 110.678 178.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -53.39 -51.24 63.17 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.355 0.662 . . . . 0.0 111.419 176.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 57.0 mt -58.94 -48.04 82.91 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 122.421 0.288 . . . . 0.0 111.037 178.264 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -58.5 -49.61 76.76 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 123.499 0.719 . . . . 0.0 111.451 -179.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 18.4 mtp-105 57.36 -70.75 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 127.092 2.157 . . . . 0.0 111.81 -168.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -128.75 -0.4 5.42 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.905 1.682 . . . . 0.0 110.559 -173.06 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp 72.3 -56.55 0.65 Allowed 'General case' 0 C--N 1.344 0.332 0 C-N-CA 126.717 2.007 . . . . 0.0 111.626 -178.22 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -71.93 71.25 0.79 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 106.223 -1.769 . . . . 0.0 106.223 167.248 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -141.36 144.04 34.32 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 126.003 1.721 . . . . 0.0 107.283 -168.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -119.34 129.72 55.0 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 105.22 -2.141 . . . . 0.0 105.22 169.402 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 93.9 t -104.48 127.21 59.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 -179.049 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -92.29 155.95 17.6 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.853 0.861 . . . . 0.0 109.919 -175.225 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -47.75 -46.4 30.0 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.354 0.662 . . . . 0.0 112.635 177.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 68.3 tp60 -63.02 -36.89 85.06 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.194 -0.942 . . . . 0.0 110.789 178.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -64.5 -45.45 87.23 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 176.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -53.35 -50.66 64.56 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 122.986 0.515 . . . . 0.0 111.002 173.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 14.0 mm -56.2 -58.42 5.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 122.963 0.505 . . . . 0.0 110.484 178.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 2.5 m -60.29 -39.57 87.41 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.485 -0.759 . . . . 0.0 110.094 -176.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -54.83 -44.32 73.78 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.647 1.179 . . . . 0.0 110.672 171.053 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.6 tt -55.11 -50.45 69.18 Favored 'General case' 0 C--N 1.34 0.159 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 176.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -52.23 -58.48 10.74 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 112.054 -0.418 . . . . 0.0 112.054 175.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.0 -43.94 74.07 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.241 1.016 . . . . 0.0 111.741 -177.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 4.7 tt -62.94 -62.21 1.87 Allowed 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 176.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -50.2 -38.39 39.83 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.355 1.062 . . . . 0.0 112.509 -176.024 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 50.1 ttp -45.37 -33.49 2.56 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.741 1.216 . . . . 0.0 112.996 177.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 4.6 pt -59.41 -30.22 43.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 119.038 0.836 . . . . 0.0 111.722 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -78.59 59.3 2.43 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 121.543 0.687 . . . . 0.0 110.185 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -58.19 -46.32 86.02 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 175.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 47.7 mp0 -75.58 54.63 0.78 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.243 1.417 . . . . 0.0 110.213 175.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -170.87 -55.32 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 127.381 2.272 . . . . 0.0 106.203 175.317 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 67.5 mt -56.1 -55.27 35.06 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.023 0.529 . . . . 0.0 109.99 172.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -78.96 52.09 1.21 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.899 0.88 . . . . 0.0 109.85 176.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.273 0 CA-C-O 118.002 -1.443 . . . . 0.0 112.504 -174.455 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.2 tpp . . . . . 0 N--CA 1.475 0.81 0 N-CA-C 111.53 0.196 . . . . 0.0 111.53 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.06 162.61 40.99 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 107.17 -1.418 . . . . 0.0 107.17 176.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -169.35 161.99 7.48 Favored Pre-proline 0 C--O 1.235 0.336 0 C-N-CA 124.78 1.232 . . . . 0.0 108.81 -176.108 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -41.07 -52.43 3.42 Favored 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 124.42 3.413 . . . . 0.0 114.471 -177.238 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -55.35 -53.73 52.5 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.536 0.607 . . . . 0.0 112.552 -177.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -67.96 -40.7 83.15 Favored 'General case' 0 C--O 1.231 0.099 0 O-C-N 121.544 -0.722 . . . . 0.0 110.928 -178.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -55.13 -44.05 74.7 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 173.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.479 ' HB2' HD22 ' B' ' 11' ' ' LEU . . . -68.05 -43.78 77.89 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.648 0.779 . . . . 0.0 111.197 -178.538 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 70.7 mt -55.57 -49.33 74.44 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 173.2 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.24 -53.03 36.68 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 175.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 55.5 tp -56.62 -48.39 77.59 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.242 0.617 . . . . 0.0 110.641 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 tt -56.04 -52.02 65.72 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 125.173 1.389 . . . . 0.0 110.233 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.9 mm -53.44 -51.52 40.81 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 173.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.98 -63.37 4.28 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 124.074 0.845 . . . . 0.0 111.779 179.238 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.3 pt -59.32 -41.11 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 CA-C-N 117.652 0.726 . . . . 0.0 110.814 -177.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -61.58 -51.13 69.81 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 118.599 0.636 . . . . 0.0 111.009 -179.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 14.4 t-80 -61.53 -38.57 87.89 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.177 178.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -65.88 -48.43 71.56 Favored 'General case' 0 CA--C 1.528 0.125 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -177.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -59.2 -63.3 1.35 Allowed 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 124.404 1.082 . . . . 0.0 109.381 178.165 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 m -59.78 -22.23 61.86 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.303 0.641 . . . . 0.0 111.471 -179.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -43.56 -31.92 1.81 Allowed Glycine 0 CA--C 1.527 0.788 0 C-N-CA 126.841 2.162 . . . . 0.0 112.605 168.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -69.61 69.52 0.27 Allowed 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 118.475 1.138 . . . . 0.0 109.68 169.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . 0.284 9.3 pt-20 53.49 -67.76 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 128.425 2.69 . . . . 0.0 113.549 -169.481 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 49.58 40.33 31.98 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 123.868 0.747 . . . . 0.0 111.37 -176.238 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.4 t70 60.45 -70.22 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.598 1.559 . . . . 0.0 111.644 -169.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.8 pttm -137.64 48.7 2.01 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.881 1.673 . . . . 0.0 108.442 175.361 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 50.64 44.33 27.51 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.872 1.269 . . . . 0.0 112.441 -173.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.4 p -116.5 174.57 6.0 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 127.606 2.362 . . . . 0.0 105.351 168.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 tt -90.71 84.04 5.83 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 -168.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.2 t -91.46 170.04 10.28 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.421 1.088 . . . . 0.0 110.491 -175.15 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -40.64 -48.92 2.99 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.558 1.143 . . . . 0.0 113.103 -173.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -51.02 -54.95 20.1 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.692 0.797 . . . . 0.0 110.656 175.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -66.76 -34.41 77.78 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.296 1.039 . . . . 0.0 110.766 -176.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.4 tt -61.48 -55.18 33.99 Favored 'General case' 0 C--O 1.232 0.161 0 C-N-CA 124.061 0.945 . . . . 0.0 109.601 174.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -55.48 -52.01 65.08 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.094 0.557 . . . . 0.0 109.715 178.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -55.55 -42.15 74.25 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 122.772 0.429 . . . . 0.0 110.993 176.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 59.9 tp -65.06 -48.14 74.85 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 118.824 0.738 . . . . 0.0 109.484 -177.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 82.1 mt -53.8 -53.9 23.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 174.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.4 tp60 -54.19 -41.27 68.38 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.245 0.618 . . . . 0.0 111.686 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -66.29 -61.26 2.11 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.222 0.609 . . . . 0.0 109.767 178.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -55.35 -28.26 52.67 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.531 0.733 . . . . 0.0 111.486 -178.385 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 tp -42.97 -38.51 2.26 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.733 0.813 . . . . 0.0 111.318 172.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.8 t -60.76 -18.02 52.36 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 -175.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.1 pt -112.66 8.95 8.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 CA-C-N 119.339 0.972 . . . . 0.0 111.771 175.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.47 110.77 4.0 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 -177.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 p -75.93 61.98 1.55 Allowed 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 126.605 1.962 . . . . 0.0 110.486 177.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt 67.02 -74.08 0.07 Allowed 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 126.766 2.026 . . . . 0.0 112.228 169.31 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 81.9 mt -56.59 -44.97 81.61 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 173.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -60.91 -27.39 68.14 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.379 176.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -65.84 -45.95 80.35 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 120.117 1.326 . . . . 0.0 110.198 172.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.52 -41.18 66.09 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 174.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -64.89 -37.17 86.74 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 118.493 -0.765 . . . . 0.0 112.437 173.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 53.8 mt -64.79 -48.35 84.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 120.227 1.376 . . . . 0.0 108.859 178.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 79.7 t -54.54 -54.27 23.78 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 175.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -53.39 -48.5 68.59 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.246 0.618 . . . . 0.0 110.936 178.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.4 tp -59.71 -50.0 75.56 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 122.748 0.419 . . . . 0.0 110.093 -179.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.3 tpt -63.59 -38.6 91.76 Favored 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 121.937 -0.477 . . . . 0.0 110.612 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -58.14 -51.12 71.02 Favored 'General case' 0 C--O 1.225 -0.201 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 173.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -55.06 -42.8 73.2 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 122.742 0.417 . . . . 0.0 111.483 176.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.8 tp -60.09 -46.82 88.31 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 122.898 0.479 . . . . 0.0 110.106 175.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -70.59 74.51 0.56 Allowed 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 124.165 0.986 . . . . 0.0 109.437 173.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.0 tpp85 -73.92 64.07 0.96 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.645 1.178 . . . . 0.0 110.619 -177.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 64.75 15.73 9.97 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.564 1.546 . . . . 0.0 111.024 -172.499 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -82.43 57.97 3.91 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.559 1.144 . . . . 0.0 108.02 176.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -77.44 60.5 2.07 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.606 0.762 . . . . 0.0 112.049 -168.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -160.4 -59.48 0.06 Allowed 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.678 1.191 . . . . 0.0 108.832 169.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -148.31 160.64 42.78 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 124.159 0.983 . . . . 0.0 111.602 172.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 19.1 m -118.71 157.24 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 N-CA-C 106.311 -1.737 . . . . 0.0 106.311 165.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -93.13 164.04 13.41 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 122.968 0.507 . . . . 0.0 110.703 -169.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -41.34 -45.06 2.93 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.382 1.073 . . . . 0.0 111.575 168.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.2 tp60 -57.7 -34.43 69.44 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 121.197 -0.939 . . . . 0.0 112.155 178.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -74.03 -40.13 63.08 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 121.557 -0.715 . . . . 0.0 110.277 175.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -52.42 -51.91 56.69 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 118.835 0.743 . . . . 0.0 109.962 171.381 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 16.5 mm -52.32 -55.08 11.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 C-N-CA 123.256 0.623 . . . . 0.0 110.005 174.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 25.6 m -56.71 -36.38 69.62 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.74 -0.6 . . . . 0.0 111.176 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -61.98 -41.3 97.86 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.656 0.662 . . . . 0.0 110.576 176.296 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.12 -51.9 62.77 Favored 'General case' 0 C--N 1.344 0.348 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 171.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.17 -53.63 14.65 Favored Glycine 0 CA--C 1.525 0.677 0 CA-C-N 115.272 -0.876 . . . . 0.0 112.236 175.135 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.44 -57.05 13.96 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 118.008 0.904 . . . . 0.0 110.722 -178.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.6 mp -51.96 -57.89 8.13 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 121.226 0.536 . . . . 0.0 110.247 179.405 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -52.76 -54.52 32.73 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.287 -178.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 31.5 ttp -59.41 -42.09 90.98 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.374 1.07 . . . . 0.0 110.942 -177.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.7 mm -55.92 -56.9 10.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 174.186 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.1 p90 -81.1 58.06 3.36 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 119.151 0.887 . . . . 0.0 111.363 173.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -37.7 -42.36 0.56 Allowed 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 126.896 2.078 . . . . 0.0 112.819 178.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -53.87 -32.77 54.34 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.802 0.841 . . . . 0.0 111.157 -173.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.01 -36.03 83.09 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 122.167 0.187 . . . . 0.0 111.445 176.44 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -71.82 -52.45 17.43 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 175.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -167.67 119.26 0.87 Allowed 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.766 0.826 . . . . 0.0 109.247 175.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.263 0 CA-C-O 116.726 -2.152 . . . . 0.0 108.986 177.443 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.66 -36.88 57.65 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.963 0.905 . . . . 0.0 112.537 -176.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 15.7 m 52.91 59.7 13.38 Favored Pre-proline 0 CA--C 1.537 0.475 0 C-N-CA 123.912 0.885 . . . . 0.0 112.505 174.097 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -57.01 -35.57 98.98 Favored 'Trans proline' 0 N--CA 1.456 -0.717 0 C-N-CA 122.636 2.224 . . . . 0.0 111.272 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 pp -54.73 -42.78 71.98 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.88 -0.513 . . . . 0.0 111.659 172.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -69.14 -45.66 69.54 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -178.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -53.01 -45.71 68.03 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 123.285 0.365 . . . . 0.0 110.02 173.352 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.77 -59.13 5.31 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.187 0.595 . . . . 0.0 110.523 -175.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 14.1 pt -61.27 -42.86 95.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.088 -179.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.94 -53.67 29.13 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 176.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.479 HD22 ' HB2' ' A' ' 8' ' ' ALA . 6.5 tt -57.15 -58.77 6.77 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.176 0.59 . . . . 0.0 109.994 177.596 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 55.0 mt -52.83 -51.67 60.02 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 121.154 0.502 . . . . 0.0 110.98 -175.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 35.5 mm -63.54 -44.63 98.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 C-N-CA 122.927 0.491 . . . . 0.0 109.984 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.17 -49.52 55.64 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 175.39 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.3 mp -58.53 -50.82 77.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 O-C-N 121.987 -0.714 . . . . 0.0 109.631 175.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -55.71 -39.37 70.96 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 117.771 0.259 . . . . 0.0 111.387 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -51.83 -36.16 47.12 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.492 1.117 . . . . 0.0 111.139 -179.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -59.5 -51.62 69.1 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 118.392 0.542 . . . . 0.0 110.21 177.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -59.72 -54.17 49.49 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.6 t -50.93 -43.35 60.06 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.627 0.771 . . . . 0.0 110.533 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.13 -35.05 63.4 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 125.044 1.307 . . . . 0.0 112.872 178.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -71.4 -18.04 62.37 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.412 1.106 . . . . 0.0 111.697 176.167 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 64.23 -74.05 0.05 OUTLIER 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 126.439 1.896 . . . . 0.0 111.873 -178.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.93 -61.96 1.31 Allowed Glycine 0 CA--C 1.529 0.921 0 N-CA-C 110.092 -1.203 . . . . 0.0 110.092 -169.425 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -128.13 -53.25 1.3 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.784 1.234 . . . . 0.0 111.506 172.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -150.76 -160.54 1.18 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.799 1.24 . . . . 0.0 107.954 -177.167 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 36.7 m170 -74.37 58.93 0.76 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.617 0.767 . . . . 0.0 109.078 172.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 18.2 p -146.26 170.79 16.05 Favored 'General case' 0 N--CA 1.44 -0.928 0 C-N-CA 126.381 1.872 . . . . 0.0 107.469 -167.331 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 81.5 mt -95.88 108.97 21.39 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 176.032 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 18.7 t -96.85 173.54 7.25 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 124.15 0.98 . . . . 0.0 108.939 168.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -44.51 -43.11 7.7 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.636 1.174 . . . . 0.0 112.604 -174.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -64.11 -45.57 88.01 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.465 -0.772 . . . . 0.0 111.907 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 46.3 mp0 -63.76 -46.49 85.05 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 177.532 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 36.7 tp -52.76 -57.47 10.06 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.16 0.984 . . . . 0.0 109.497 177.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -56.3 -43.12 78.6 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 121.915 -0.491 . . . . 0.0 110.954 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -55.92 -52.62 63.46 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 118.49 0.587 . . . . 0.0 110.113 174.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 58.3 tp -55.18 -52.73 62.4 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 122.901 0.48 . . . . 0.0 110.814 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 1.7 mp -54.93 -53.87 29.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 122.992 0.517 . . . . 0.0 109.788 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -57.69 -43.38 85.07 Favored 'General case' 0 CA--C 1.529 0.169 0 O-C-N 122.006 -0.434 . . . . 0.0 110.591 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -60.55 -55.9 27.79 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 122.791 0.437 . . . . 0.0 110.543 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -48.59 -44.37 36.85 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.082 0.953 . . . . 0.0 110.865 174.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 6.1 tt -62.93 -50.49 70.6 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -178.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 37.7 m -64.05 -52.19 60.55 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.042 0.937 . . . . 0.0 111.217 -176.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 pp -67.54 -30.06 47.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 O-C-N 122.117 -0.364 . . . . 0.0 110.594 -179.176 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.23 78.12 0.93 Allowed Glycine 0 C--N 1.337 0.593 0 N-CA-C 110.296 -1.122 . . . . 0.0 110.296 174.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 2.4 p -72.73 43.48 0.11 Allowed 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.632 1.573 . . . . 0.0 112.542 178.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 24.5 mmtm 55.99 -81.26 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 127.299 2.239 . . . . 0.0 111.472 178.171 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.703 HD13 ' H ' ' B' ' 48' ' ' LEU . 0.0 OUTLIER -80.38 45.69 0.78 Allowed 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.754 0.787 . . . . 0.0 109.681 173.744 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -57.46 -49.12 77.3 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 123.323 0.649 . . . . 0.0 112.746 -168.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -64.95 -43.73 91.76 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 120.919 -1.113 . . . . 0.0 111.995 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.43 -44.73 62.4 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 172.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -58.1 -45.5 87.09 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 118.582 -0.723 . . . . 0.0 110.919 173.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 10.0 mm -63.94 -52.3 58.48 Favored 'Isoleucine or valine' 0 C--N 1.344 0.349 0 CA-C-N 119.767 1.167 . . . . 0.0 109.672 -177.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 20.3 m -65.23 -32.79 59.78 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 O-C-N 121.723 -0.61 . . . . 0.0 111.079 -178.075 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -64.42 -47.42 79.19 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 118.708 0.686 . . . . 0.0 110.081 174.183 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 15.4 mt -55.35 -45.85 76.43 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 118.733 0.697 . . . . 0.0 110.611 175.324 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 55.6 ttp -59.32 -58.86 6.77 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 120.894 0.378 . . . . 0.0 110.53 176.398 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -60.01 -39.63 86.46 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.278 0.631 . . . . 0.0 111.762 -174.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -76.79 -70.1 0.48 Allowed 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 61.2 mt -83.57 -69.2 0.65 Allowed 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.226 0.536 . . . . 0.0 111.174 -173.556 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -85.57 63.63 8.18 Favored 'General case' 0 CA--C 1.521 -0.171 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -167.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 63.7 mtp85 -78.65 49.41 0.88 Allowed 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 168.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 68.52 -37.75 0.36 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.222 1.809 . . . . 0.0 112.228 -168.488 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -56.82 -28.07 60.97 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 126.263 1.825 . . . . 0.0 114.063 -175.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -71.23 74.22 0.69 Allowed 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 121.675 0.75 . . . . 0.0 111.92 -174.05 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -76.25 -42.12 46.82 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 106.145 -1.798 . . . . 0.0 106.145 166.445 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -146.93 146.55 30.17 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 125.957 1.703 . . . . 0.0 109.711 168.654 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 9.2 m -135.25 155.04 36.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 C-N-CA 125.575 1.55 . . . . 0.0 107.883 168.431 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -92.47 154.02 18.74 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.26 0.624 . . . . 0.0 111.976 -168.042 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -41.97 -46.5 4.14 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.337 1.055 . . . . 0.0 112.455 171.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 19.4 tp60 -60.42 -34.14 73.52 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.063 -1.023 . . . . 0.0 111.675 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -70.8 -42.44 70.3 Favored 'General case' 0 N--CA 1.455 -0.188 0 O-C-N 121.817 -0.552 . . . . 0.0 109.619 175.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -53.02 -49.36 66.43 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.135 0.425 . . . . 0.0 110.221 171.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 12.8 mm -56.33 -51.74 60.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 122.854 0.462 . . . . 0.0 110.421 176.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 19.7 m -55.14 -43.12 73.88 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.554 -0.716 . . . . 0.0 110.229 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -60.5 -41.41 94.25 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.068 0.547 . . . . 0.0 111.26 174.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.02 -50.77 57.92 Favored 'General case' 0 C--N 1.341 0.232 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 173.042 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.15 -60.12 8.95 Favored Glycine 0 CA--C 1.525 0.66 0 CA-C-O 119.7 -0.5 . . . . 0.0 111.939 175.562 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.51 -45.4 66.23 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.733 0.813 . . . . 0.0 111.771 -177.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 48.2 tp -61.55 -62.69 1.64 Allowed 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 123.682 0.793 . . . . 0.0 109.614 176.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.72 -38.25 66.88 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.896 0.878 . . . . 0.0 111.505 -174.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 15.7 tpt -52.87 -23.57 7.34 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.993 1.317 . . . . 0.0 112.461 176.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 10.5 tt -51.55 -35.77 17.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 118.975 0.807 . . . . 0.0 111.032 174.14 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -79.08 51.18 1.12 Allowed 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.155 0.582 . . . . 0.0 110.198 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -59.21 -22.15 60.58 Favored 'General case' 0 C--O 1.223 -0.297 0 C-N-CA 123.431 0.693 . . . . 0.0 112.215 -172.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -43.06 -40.96 3.33 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.723 0.809 . . . . 0.0 111.244 169.356 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -80.82 -48.41 12.48 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.292 0.637 . . . . 0.0 111.397 178.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -74.54 -23.38 58.79 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -171.252 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm 68.18 -61.68 0.38 Allowed 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 127.141 2.176 . . . . 0.0 111.547 -175.123 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.223 0 CA-C-O 117.23 -1.872 . . . . 0.0 109.352 177.106 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.475 0.779 0 N-CA-C 109.921 -0.399 . . . . 0.0 109.921 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -47.34 116.21 1.34 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.035 0.934 . . . . 0.0 111.239 -176.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.5 p -169.01 163.24 7.67 Favored Pre-proline 0 N--CA 1.453 -0.297 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 -173.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -51.5 -44.8 41.56 Favored 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 122.582 2.188 . . . . 0.0 110.99 169.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.9 mt -52.71 -62.18 1.81 Allowed 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.47 0.708 . . . . 0.0 109.65 174.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -60.85 -33.94 73.83 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -176.047 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.89 -43.43 98.86 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.284 0.493 . . . . 0.0 110.229 172.656 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.23 -49.1 75.51 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 42.6 mm -50.34 -55.17 6.61 Favored 'Isoleucine or valine' 0 C--N 1.342 0.254 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 172.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.79 -50.8 14.12 Favored Glycine 0 CA--C 1.527 0.81 0 C-N-CA 125.564 1.554 . . . . 0.0 112.035 178.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.77 -56.15 20.16 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 122.006 -0.703 . . . . 0.0 110.048 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.0 mt -58.26 -50.08 74.84 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-O 121.946 0.879 . . . . 0.0 111.238 -176.388 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.0 tt -68.5 -34.76 67.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.643 -177.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.73 -49.78 74.87 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 124.099 0.857 . . . . 0.0 110.971 173.238 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 75.9 mt -52.67 -53.36 20.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 174.361 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -58.8 -46.83 86.68 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -179.212 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -51.42 -42.96 61.85 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 125.505 1.522 . . . . 0.0 110.1 176.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -59.39 -51.47 69.76 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 120.989 0.423 . . . . 0.0 110.401 -176.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -62.4 -45.33 93.62 Favored 'General case' 0 C--O 1.227 -0.088 0 O-C-N 121.87 -0.519 . . . . 0.0 110.614 176.196 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.3 m -52.05 -41.53 62.39 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 122.342 0.257 . . . . 0.0 111.602 176.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.83 -53.14 43.13 Favored Glycine 0 CA--C 1.523 0.593 0 C-N-CA 124.733 1.158 . . . . 0.0 110.947 174.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -59.31 -37.12 76.96 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 117.577 0.688 . . . . 0.0 112.003 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -61.8 -57.72 10.77 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 118.273 0.488 . . . . 0.0 109.928 170.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.88 -71.84 0.9 Allowed Glycine 0 CA--C 1.528 0.849 0 N-CA-C 110.35 -1.1 . . . . 0.0 110.35 -175.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -80.48 52.85 1.71 Allowed 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.456 1.102 . . . . 0.0 111.064 -176.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.0 ptpp? 146.28 152.43 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 131.318 3.847 . . . . 0.0 106.814 -179.403 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.427 ' CE1' ' H ' ' B' ' 90' ' ' GLY . 5.7 m-70 -128.09 51.33 1.98 Allowed 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 122.475 1.131 . . . . 0.0 108.095 177.729 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 65.5 p -145.46 152.24 39.48 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 103.824 -2.658 . . . . 0.0 103.824 176.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.7 mp -90.88 152.32 20.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 118.977 0.808 . . . . 0.0 109.114 -169.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 m -145.97 173.18 12.38 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 126.369 1.868 . . . . 0.0 108.003 -172.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -35.93 -53.86 0.76 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.624 1.569 . . . . 0.0 111.893 175.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -42.85 -51.81 5.33 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.902 1.281 . . . . 0.0 111.536 175.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -70.99 -31.43 67.96 Favored 'General case' 0 N--CA 1.451 -0.417 0 O-C-N 121.948 -0.47 . . . . 0.0 110.959 -176.088 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.9 mt -62.87 -46.67 86.76 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 120.105 -0.638 . . . . 0.0 109.653 171.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 36.2 mmtp -56.41 -48.95 75.87 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.19 0.45 . . . . 0.0 110.25 176.024 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -53.44 -50.12 65.93 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 122.329 -0.232 . . . . 0.0 110.904 174.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 tt -56.98 -53.86 53.3 Favored 'General case' 0 C--O 1.226 -0.148 0 O-C-N 122.038 -0.414 . . . . 0.0 110.463 -179.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.4 mm -52.17 -46.58 44.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 123.961 0.904 . . . . 0.0 110.173 177.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.3 -53.95 51.54 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 119.3 -0.381 . . . . 0.0 110.619 178.287 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -62.78 -44.21 96.78 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 118.479 0.582 . . . . 0.0 111.115 -175.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -71.82 -12.24 61.19 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.455 0.702 . . . . 0.0 111.289 176.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 39.5 mt 58.45 42.27 21.42 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 126.039 1.736 . . . . 0.0 110.917 173.081 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 33.3 m -41.14 -50.07 3.5 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 124.774 1.229 . . . . 0.0 113.95 -171.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.1 pt -55.84 -34.35 36.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 C-N-CA 123.307 0.643 . . . . 0.0 112.085 -178.422 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -90.29 -50.14 3.08 Favored Glycine 0 CA--C 1.526 0.727 0 C-N-CA 124.328 0.966 . . . . 0.0 110.989 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.9 p -65.34 -53.53 42.27 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 117.56 0.68 . . . . 0.0 110.917 -174.408 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.4 mttm 63.32 -67.99 0.09 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 126.164 1.785 . . . . 0.0 112.285 -177.213 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 74.4 mt -55.77 150.09 13.44 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.876 1.27 . . . . 0.0 109.471 174.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 66.81 -67.43 0.16 Allowed 'General case' 0 C--O 1.224 -0.271 0 C-N-CA 125.058 1.343 . . . . 0.0 108.734 -167.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.59 -51.64 46.49 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -171.158 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.71 -36.57 62.38 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.351 0.523 . . . . 0.0 110.696 -178.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -73.66 -43.22 60.0 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 123.435 0.694 . . . . 0.0 109.539 172.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -63.19 -34.65 68.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 C-N-CA 122.924 0.49 . . . . 0.0 110.112 -171.176 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 41.3 t -45.76 -39.89 3.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 C-N-CA 124.29 1.036 . . . . 0.0 111.374 173.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -64.19 -43.22 95.74 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 119.039 0.836 . . . . 0.0 110.869 177.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 48.3 mt -67.54 -43.23 81.25 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -178.119 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 25.2 mmt -59.77 -43.27 94.42 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 173.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -56.14 -48.89 75.39 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.471 -0.768 . . . . 0.0 110.757 173.418 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -57.12 -44.98 83.82 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 118.393 0.542 . . . . 0.0 112.174 176.103 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 36.6 tp -55.77 -47.07 77.66 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.407 -0.808 . . . . 0.0 110.266 173.185 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -89.08 21.24 3.25 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.104 1.362 . . . . 0.0 111.6 -173.173 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 32.7 ptt-85 -54.71 -23.49 17.84 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 124.183 0.993 . . . . 0.0 113.332 -172.058 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -70.04 39.75 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.072 0.949 . . . . 0.0 111.88 169.305 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.39 39.05 2.85 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.465 1.506 . . . . 0.0 112.057 -176.175 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.8 t0 45.2 38.15 3.16 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.017 1.327 . . . . 0.0 112.541 -175.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -73.37 -68.83 0.47 Allowed 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 121.549 0.69 . . . . 0.0 109.502 178.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -136.78 102.49 4.91 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 106.889 -1.523 . . . . 0.0 106.889 176.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 52.3 t -90.16 96.89 6.58 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 N-CA-C 104.426 -2.435 . . . . 0.0 104.426 -175.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -88.63 159.9 17.64 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.878 -166.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -49.89 -37.39 31.07 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 122.156 -0.34 . . . . 0.0 111.481 174.237 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -52.66 -49.52 65.07 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 121.387 -0.821 . . . . 0.0 111.085 169.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -59.78 -46.38 89.37 Favored 'General case' 0 C--O 1.225 -0.217 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 178.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -53.23 -53.67 47.28 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.322 0.649 . . . . 0.0 111.535 176.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 24.3 mm -62.91 -54.44 33.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 O-C-N 121.746 -0.596 . . . . 0.0 110.898 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.6 p -58.25 -41.22 83.76 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 121.967 -0.458 . . . . 0.0 110.67 -178.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -54.46 -49.08 70.93 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.941 0.896 . . . . 0.0 110.887 170.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.8 tt -55.97 -50.16 71.57 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.318 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -49.98 -55.82 13.93 Favored Glycine 0 CA--C 1.532 1.099 0 N-CA-C 111.634 -0.586 . . . . 0.0 111.634 175.34 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.77 -51.45 68.84 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.712 0.805 . . . . 0.0 110.853 -179.094 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.1 tp -60.16 -43.81 95.51 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 122.939 0.496 . . . . 0.0 110.45 -178.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.37 -45.62 90.92 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 122.041 -0.412 . . . . 0.0 111.402 175.232 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 84.2 mtp -60.84 -43.6 98.09 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.988 -0.445 . . . . 0.0 110.915 176.124 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 74.1 mt -57.88 -42.43 82.26 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 174.075 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 16.1 m-30 -72.97 52.06 0.31 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.54 0.736 . . . . 0.0 110.726 170.266 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -56.61 -35.06 67.85 Favored 'General case' 0 C--O 1.22 -0.486 0 O-C-N 121.497 -0.752 . . . . 0.0 110.644 -175.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -51.28 -44.91 61.93 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.277 0.489 . . . . 0.0 111.331 175.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.43 -48.67 26.2 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 53.6 tp -63.76 -54.74 30.54 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 121.342 -0.143 . . . . 0.0 111.181 -174.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.8 tmtm? -157.68 69.21 0.54 Allowed 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.943 1.297 . . . . 0.0 110.343 -179.21 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 N-CA-C 106.056 -2.817 . . . . 0.0 106.056 166.508 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.472 0.653 0 CA-C-O 119.205 -0.426 . . . . 0.0 112.065 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -173.82 145.59 1.16 Allowed 'General case' 0 C--O 1.233 0.185 0 C-N-CA 124.193 0.997 . . . . 0.0 109.753 -178.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 53.6 p -153.12 164.72 19.48 Favored Pre-proline 0 C--O 1.235 0.338 0 N-CA-C 106.229 -1.767 . . . . 0.0 106.229 169.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.61 -54.58 4.34 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.096 1.864 . . . . 0.0 110.425 175.31 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 57.2 tp -56.44 -50.44 71.66 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.316 0.646 . . . . 0.0 110.421 178.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -61.37 -45.09 95.82 Favored 'General case' 0 N--CA 1.455 -0.179 0 O-C-N 121.896 -0.503 . . . . 0.0 111.412 -176.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -60.79 -39.35 88.58 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 122.351 -0.218 . . . . 0.0 110.626 174.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.54 -49.6 76.06 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 120.92 0.39 . . . . 0.0 110.207 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 74.1 mt -58.11 -50.16 79.11 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 175.31 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.62 -55.72 10.66 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 177.359 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 60.2 tp -53.12 -57.55 10.07 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.798 0.839 . . . . 0.0 110.06 176.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 13.3 tp -50.96 -57.81 7.62 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.149 0.979 . . . . 0.0 110.919 -177.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 32.2 mm -62.48 -42.98 97.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 -177.049 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -45.83 -69.78 0.75 Allowed Glycine 0 CA--C 1.529 0.916 0 C-N-CA 124.042 0.83 . . . . 0.0 111.305 172.067 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 9.6 pt -61.31 -41.46 89.83 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 O-C-N 121.974 -0.721 . . . . 0.0 111.115 -175.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -51.31 -57.56 8.56 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 122.912 0.485 . . . . 0.0 110.753 176.428 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -64.92 -28.44 69.53 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 121.103 -0.239 . . . . 0.0 110.718 -171.218 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -74.29 -55.95 5.44 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -54.18 -46.88 72.49 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 121.014 0.435 . . . . 0.0 109.835 176.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 12.5 m -76.72 57.39 1.27 Allowed 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.148 0.979 . . . . 0.0 110.474 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 171.33 -67.78 0.14 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.782 -0.527 . . . . 0.0 111.782 -175.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt 44.73 -75.53 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 127.624 2.37 . . . . 0.0 114.329 -176.255 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -61.57 -35.46 77.85 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 125.072 1.349 . . . . 0.0 110.868 178.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -149.76 159.42 28.08 Favored Glycine 0 C--N 1.336 0.577 0 N-CA-C 109.093 -1.603 . . . . 0.0 109.093 177.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -77.31 58.87 1.72 Allowed 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.016 0.908 . . . . 0.0 111.577 -175.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -61.41 -44.98 96.19 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 122.954 0.501 . . . . 0.0 109.707 177.023 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 17.4 m170 55.02 24.04 5.65 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 126.424 1.89 . . . . 0.0 110.649 -175.127 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 9.4 p -147.69 155.63 41.95 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 128.018 2.527 . . . . 0.0 104.305 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 31.0 mt -93.91 151.31 19.66 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 -172.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 25.0 t -146.45 173.43 12.29 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.865 0.866 . . . . 0.0 109.109 175.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -45.33 -45.61 12.46 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 125.396 1.479 . . . . 0.0 110.527 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 47.1 tptt -51.59 -55.87 16.77 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.943 0.897 . . . . 0.0 111.15 177.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.5 mp0 -62.9 -37.28 86.31 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.017 0.527 . . . . 0.0 110.687 -178.035 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 53.5 tp -63.92 -49.44 72.6 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 120.782 0.325 . . . . 0.0 110.527 176.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -51.47 67.27 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.668 0.787 . . . . 0.0 109.49 177.251 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -55.67 -45.07 77.78 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 119.399 -0.334 . . . . 0.0 110.859 176.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 60.9 tp -55.62 -56.81 16.0 Favored 'General case' 0 N--CA 1.457 -0.101 0 CA-C-N 118.657 0.662 . . . . 0.0 110.683 177.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 39.9 pt -60.88 -37.14 76.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 C-N-CA 119.503 -0.879 . . . . 0.0 111.062 -178.081 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -57.21 -47.96 79.99 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 122.162 -0.337 . . . . 0.0 110.508 174.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -63.54 -45.67 89.47 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 122.735 0.414 . . . . 0.0 111.332 178.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -56.45 -40.68 75.22 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 118.111 0.414 . . . . 0.0 110.524 174.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 9.3 tp 56.51 29.39 15.33 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.326 1.45 . . . . 0.0 111.364 -179.444 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.1 p -79.1 64.01 3.91 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.196 1.398 . . . . 0.0 109.542 -178.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 83.6 mt -79.45 -80.86 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 -176.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.63 -78.36 0.13 Allowed Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.044 -1.223 . . . . 0.0 110.044 -169.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 3.5 m 178.86 -93.23 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 127.749 2.419 . . . . 0.0 108.44 169.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -71.5 -35.34 70.74 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.942 0.497 . . . . 0.0 111.7 -169.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 4.0 pp -51.36 -28.75 13.33 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 123.358 0.663 . . . . 0.0 112.434 -176.369 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -42.54 -46.05 4.73 Favored 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 123.861 0.864 . . . . 0.0 111.631 171.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -69.71 -51.32 35.42 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 119.345 -0.942 . . . . 0.0 111.735 -172.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.38 -42.62 67.09 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 175.106 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -61.25 -39.95 92.24 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.237 175.022 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 1.2 mp -67.15 -45.29 86.88 Favored 'Isoleucine or valine' 0 C--N 1.339 0.134 0 CA-C-N 120.295 1.407 . . . . 0.0 108.827 -178.299 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 75.7 t -57.31 -55.5 20.46 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 178.536 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -65.05 -43.24 92.95 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 120.204 -0.598 . . . . 0.0 110.871 -177.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 49.2 tp -59.11 -49.26 78.54 Favored 'General case' 0 C--O 1.225 -0.212 0 CA-C-N 118.546 0.612 . . . . 0.0 109.631 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 25.3 ttt -49.91 -62.98 1.26 Allowed 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 174.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -49.86 -59.7 3.61 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.927 0.891 . . . . 0.0 111.809 -178.156 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -57.65 -51.63 68.73 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.285 1.034 . . . . 0.0 111.384 -177.293 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.5 tt -81.26 -53.89 5.96 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -168.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -129.11 -15.56 4.19 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 116.687 2.106 . . . . 0.0 116.687 -165.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 25.73 -64.19 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 130.135 3.374 . . . . 0.0 117.692 -175.334 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -47.33 -49.41 24.24 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.777 1.231 . . . . 0.0 109.599 169.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? 66.41 -73.85 0.07 Allowed 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 125.597 1.559 . . . . 0.0 112.54 172.156 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 32.41 -111.02 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 128.133 2.573 . . . . 0.0 111.619 -175.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -119.3 -49.63 2.37 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 126.318 1.847 . . . . 0.0 110.269 176.195 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -116.74 107.12 14.27 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.599 1.16 . . . . 0.0 109.265 -172.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 95.9 t -94.14 125.35 46.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 C-N-CA 125.463 1.505 . . . . 0.0 107.316 -178.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -92.15 152.14 20.04 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 121.089 0.471 . . . . 0.0 110.017 -171.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -39.34 -40.08 0.74 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.839 1.656 . . . . 0.0 113.648 174.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.1 tp-100 -55.82 -39.91 72.03 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.04 -1.038 . . . . 0.0 111.453 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -63.12 -41.23 99.29 Favored 'General case' 0 CA--C 1.529 0.171 0 O-C-N 121.632 -0.668 . . . . 0.0 109.977 176.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -59.97 -48.25 82.47 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 122.849 0.459 . . . . 0.0 110.778 175.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 2.9 tp -69.29 -39.61 79.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 O-C-N 121.089 -1.007 . . . . 0.0 110.922 -176.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 14.8 p -62.6 -38.36 89.87 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.151 -0.968 . . . . 0.0 109.982 173.023 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -57.11 -39.87 75.95 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.205 0.602 . . . . 0.0 110.852 168.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 4.0 tt -59.06 -48.82 80.2 Favored 'General case' 0 CA--C 1.528 0.122 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 175.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -46.55 -52.24 11.32 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.601 -0.6 . . . . 0.0 111.601 170.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.94 -50.86 71.69 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 117.343 0.571 . . . . 0.0 112.012 -179.236 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 74.1 mt -52.2 -49.86 63.05 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 118.565 0.621 . . . . 0.0 110.088 175.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.58 -43.69 98.4 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.01 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 15.6 tpt -57.74 -43.87 85.65 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 122.045 -0.409 . . . . 0.0 110.447 175.432 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 75.4 mt -59.31 -41.34 83.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 174.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 9.0 m-30 -73.99 52.14 0.43 Allowed 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.525 -0.734 . . . . 0.0 110.717 171.14 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 32.6 p-10 -52.26 -38.03 57.1 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 125.104 1.361 . . . . 0.0 111.67 -177.237 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -44.98 -36.56 3.46 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.229 1.412 . . . . 0.0 112.678 174.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -80.2 -44.98 18.83 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 118.026 0.376 . . . . 0.0 110.825 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 11.0 mp -57.71 -37.46 73.55 Favored 'General case' 0 N--CA 1.463 0.195 0 O-C-N 121.969 -0.457 . . . . 0.0 109.874 177.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 17.6 tptp -55.25 118.6 4.53 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 169.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 90' ' ' GLY . . . . . 0.427 ' H ' ' CE1' ' A' ' 27' ' ' HIS . . . . . . . . 0 C--O 1.249 1.076 0 CA-C-O 117.052 -1.971 . . . . 0.0 111.002 178.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.1 mmm . . . . . 0 N--CA 1.476 0.841 0 CA-C-O 119.951 -0.071 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 65.73 -63.48 0.22 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.511 1.924 . . . . 0.0 112.057 -178.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.6 m -150.31 80.49 7.06 Favored Pre-proline 0 N--CA 1.452 -0.363 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 173.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -46.32 -59.06 1.35 Allowed 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 124.63 3.553 . . . . 0.0 113.908 -169.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -53.02 -51.31 62.12 Favored 'General case' 0 N--CA 1.457 -0.101 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 -179.349 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -61.17 -49.93 75.19 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 122.587 0.355 . . . . 0.0 111.136 -175.296 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -62.03 -36.8 82.68 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 119.557 -0.857 . . . . 0.0 110.729 178.233 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.74 -54.75 22.95 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 -178.029 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 65.8 mt -50.69 -54.69 8.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 124.795 1.238 . . . . 0.0 109.08 175.41 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.3 -49.14 52.17 Favored Glycine 0 CA--C 1.527 0.821 0 C-N-CA 123.688 0.661 . . . . 0.0 111.766 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.3 tp -66.44 -46.62 75.85 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 122.005 -0.703 . . . . 0.0 110.707 -176.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -56.05 -48.77 75.4 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 118.495 0.589 . . . . 0.0 110.524 174.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 60.2 mt -51.6 -53.43 16.52 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.297 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 174.017 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -51.9 -55.71 19.71 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 123.529 0.585 . . . . 0.0 111.839 179.03 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.4 mm -54.92 -48.71 74.59 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.108 0 C-N-CA 123.304 0.642 . . . . 0.0 110.195 -178.621 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -63.28 -53.45 52.67 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 121.528 0.68 . . . . 0.0 110.581 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -54.98 -31.92 61.17 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.861 1.665 . . . . 0.0 111.799 -178.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.4 tptt -51.06 -42.46 60.56 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 118.833 0.742 . . . . 0.0 110.317 175.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -82.54 -71.79 0.47 Allowed 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 122.198 0.999 . . . . 0.0 109.858 170.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.1 m -56.93 -30.02 63.62 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 126.053 1.741 . . . . 0.0 114.259 -167.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.75 -35.07 51.74 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 124.093 0.854 . . . . 0.0 111.706 174.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -65.21 -20.51 66.47 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 117.992 0.896 . . . . 0.0 111.64 178.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -88.48 2.43 52.86 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.8 0.84 . . . . 0.0 111.362 174.217 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 50.99 -114.35 2.74 Favored Glycine 0 C--N 1.339 0.721 0 C-N-CA 125.448 1.499 . . . . 0.0 112.117 174.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -56.22 -44.13 79.25 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.599 0.76 . . . . 0.0 110.903 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -81.71 61.98 5.33 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -177.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -69.68 74.2 0.41 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.881 1.272 . . . . 0.0 110.595 -171.15 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 66.6 p -145.96 171.5 14.75 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 129.186 2.994 . . . . 0.0 106.035 -170.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.4 mt -98.28 113.56 25.54 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 173.082 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.0 p -90.54 164.42 14.24 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 174.029 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -34.93 -54.79 0.58 Allowed 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 114.217 1.192 . . . . 0.0 114.217 -172.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -59.21 -47.72 84.27 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 122.639 0.376 . . . . 0.0 111.479 -179.06 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -62.91 -47.37 83.54 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.094 0.558 . . . . 0.0 109.765 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -55.97 -56.33 22.05 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.736 0.815 . . . . 0.0 109.18 178.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -52.59 -54.14 37.11 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.632 0.773 . . . . 0.0 110.842 178.576 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -57.46 -47.84 80.76 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 -178.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 58.0 tp -56.13 -55.22 35.7 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 122.723 0.409 . . . . 0.0 110.207 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 28.5 pt -64.41 -42.0 94.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 C-N-CA 119.739 -0.784 . . . . 0.0 110.937 -174.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.57 -50.38 70.21 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.498 0.59 . . . . 0.0 110.165 174.093 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -60.86 -55.54 31.87 Favored 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 122.184 -0.323 . . . . 0.0 110.511 -177.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 52.3 tt0 -57.3 -38.05 73.39 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.192 0.597 . . . . 0.0 110.554 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 41.3 tp -62.47 -53.63 51.94 Favored 'General case' 0 C--O 1.23 0.063 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 177.428 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 49.4 m -54.46 -52.09 62.96 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.324 0.65 . . . . 0.0 109.979 -178.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.9 mm -61.45 -48.45 88.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 C-N-CA 122.179 0.192 . . . . 0.0 110.532 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.85 -59.62 10.16 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.496 -0.642 . . . . 0.0 111.496 -176.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 72.5 m 32.14 59.36 0.36 Allowed 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 126.015 1.726 . . . . 0.0 115.04 -176.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -98.66 -122.72 0.14 Allowed 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 105.393 -2.077 . . . . 0.0 105.393 168.053 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.1 mp -73.92 74.19 1.65 Allowed 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 169.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -37.33 -49.36 0.97 Allowed 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 126.173 1.789 . . . . 0.0 113.527 -171.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -72.37 -45.63 58.95 Favored 'General case' 0 N--CA 1.453 -0.302 0 O-C-N 121.22 -0.925 . . . . 0.0 113.183 -177.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.1 -44.36 67.53 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 174.096 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -57.08 -52.3 65.85 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 117.837 -1.078 . . . . 0.0 110.247 171.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -64.49 -43.99 96.92 Favored 'Isoleucine or valine' 0 C--N 1.342 0.281 0 CA-C-N 120.263 1.392 . . . . 0.0 109.748 -169.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 79.1 t -56.21 -59.62 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 C-N-CA 123.418 0.687 . . . . 0.0 109.38 176.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -57.91 -50.84 71.98 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 117.938 0.335 . . . . 0.0 110.52 -176.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 58.6 tp -52.45 -63.09 1.25 Allowed 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 125.458 1.503 . . . . 0.0 110.343 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 45.4 ttp -60.07 -49.46 77.58 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.031 -175.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -55.87 -55.09 36.66 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 122.436 0.294 . . . . 0.0 110.684 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -61.27 -47.46 85.9 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 123.159 0.287 . . . . 0.0 110.385 -174.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 85.8 mt -62.91 -48.75 77.61 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.749 179.197 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -62.61 -58.38 7.72 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -176.168 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 35.81 47.25 0.38 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.542 1.537 . . . . 0.0 112.833 -168.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 64.07 68.68 0.56 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.588 1.555 . . . . 0.0 111.587 179.468 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -133.04 -47.75 0.85 Allowed 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 123.8 0.84 . . . . 0.0 111.527 171.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.1 t70 66.11 -66.47 0.17 Allowed 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 126.924 2.09 . . . . 0.0 113.078 177.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . 0.258 0.0 OUTLIER -65.8 -42.8 90.26 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -169.314 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -145.84 123.54 11.86 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.497 1.119 . . . . 0.0 109.446 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 69.1 t -97.62 133.58 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 170.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -92.73 150.1 20.88 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.469 0.707 . . . . 0.0 109.548 -176.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -40.01 -42.6 1.42 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 126.057 1.743 . . . . 0.0 113.089 175.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -56.14 -34.16 65.85 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.578 -0.701 . . . . 0.0 112.089 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -72.05 -43.44 64.93 Favored 'General case' 0 C--O 1.227 -0.101 0 CA-C-N 118.759 0.709 . . . . 0.0 110.666 177.01 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -52.08 -49.54 63.35 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 172.396 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 14.9 mm -60.75 -47.57 92.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 C-N-CA 122.909 0.484 . . . . 0.0 111.078 177.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 41.3 m -53.98 -43.94 70.39 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.315 -0.865 . . . . 0.0 109.754 175.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -65.11 -41.21 95.12 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.07 0.548 . . . . 0.0 111.023 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.49 ' CD1' HG22 ' B' ' 9' ' ' ILE . 4.6 tp -51.24 -48.66 62.07 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 169.658 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -52.65 -57.54 13.78 Favored Glycine 0 C--O 1.222 -0.603 0 CA-C-O 118.982 -0.899 . . . . 0.0 111.626 173.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.59 -53.58 44.74 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 118.426 1.113 . . . . 0.0 111.408 -178.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.8 mt -46.89 -47.62 21.41 Favored 'General case' 0 C--O 1.226 -0.17 0 C-N-CA 124.423 1.089 . . . . 0.0 110.71 178.207 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.97 -58.73 3.72 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.866 0.365 . . . . 0.0 110.973 176.553 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 21.8 ttt -55.56 -28.59 55.84 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 126.631 1.972 . . . . 0.0 113.749 -169.043 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 17.7 pt -57.31 -29.01 31.78 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-N 119.363 0.983 . . . . 0.0 112.174 173.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 54.21 16.43 1.19 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.882 1.273 . . . . 0.0 114.104 173.205 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.25 -44.65 92.36 Favored 'General case' 0 CA--C 1.524 -0.049 0 C-N-CA 124.047 0.939 . . . . 0.0 110.229 -173.251 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -78.81 54.42 1.54 Allowed 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 122.963 0.505 . . . . 0.0 111.089 -179.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 46.06 57.17 5.42 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.344 1.057 . . . . 0.0 110.212 -176.071 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.2 tp 83.33 -21.72 0.27 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.452 1.501 . . . . 0.0 112.819 -176.512 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -84.78 53.4 2.69 Favored 'General case' 0 C--N 1.342 0.254 0 CA-C-N 120.687 1.585 . . . . 0.0 110.518 -169.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.312 0 CA-C-O 116.846 -2.085 . . . . 0.0 111.827 -172.37 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.751 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.58 -147.57 0.23 Allowed 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.843 0.857 . . . . 0.0 109.988 -176.306 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m -29.29 -53.52 0.29 Allowed Pre-proline 0 CA--C 1.54 0.584 0 C-N-CA 127.95 2.5 . . . . 0.0 116.427 -178.4 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -58.99 -49.2 11.83 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.973 1.782 . . . . 0.0 112.25 175.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 62.6 tp -62.3 -45.56 92.7 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 178.161 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -54.3 -56.02 22.59 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 120.705 0.288 . . . . 0.0 111.636 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -65.19 -29.14 69.93 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 120.181 -0.608 . . . . 0.0 110.863 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.7 -51.82 60.42 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.777 0.717 . . . . 0.0 110.609 176.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.49 HG22 ' CD1' ' A' ' 77' ' ' LEU . 19.7 pt -62.0 -41.26 90.31 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.131 0 O-C-N 121.945 -0.472 . . . . 0.0 109.765 177.286 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.22 -52.19 23.64 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 171.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.9 tp -60.74 -50.74 72.25 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.528 0.731 . . . . 0.0 110.462 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 66.7 mt -55.87 -46.54 78.23 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.357 0.526 . . . . 0.0 111.439 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 72.2 mt -60.49 -51.62 70.94 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 C-N-CA 123.846 0.858 . . . . 0.0 109.293 176.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.36 -53.71 33.56 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 15.2 mm -53.89 -46.45 64.18 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 C-N-CA 123.924 0.89 . . . . 0.0 109.999 176.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -54.54 -58.77 6.2 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.522 0.677 . . . . 0.0 110.492 176.389 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -60.0 -28.82 68.02 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.043 -176.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -62.41 -47.86 82.25 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 175.269 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -57.75 -49.16 77.52 Favored 'General case' 0 C--N 1.34 0.163 0 CA-C-N 118.349 0.522 . . . . 0.0 110.263 175.326 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 13.7 m -48.78 -49.96 36.22 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 120.734 0.302 . . . . 0.0 110.569 175.214 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.19 -42.64 98.71 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 125.502 1.525 . . . . 0.0 112.436 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -71.62 64.31 0.44 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.104 0.952 . . . . 0.0 110.775 176.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 49.2 40.29 17.52 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.946 1.298 . . . . 0.0 111.631 177.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.49 -53.46 1.23 Allowed Glycine 0 CA--C 1.523 0.532 0 N-CA-C 109.785 -1.326 . . . . 0.0 109.785 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 32.9 t0 66.96 153.87 0.09 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.767 2.027 . . . . 0.0 111.667 -173.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp 63.33 166.71 0.13 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.691 1.596 . . . . 0.0 112.094 -177.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -97.21 59.5 1.61 Allowed 'General case' 0 N--CA 1.458 -0.05 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 169.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 45.2 p -144.08 147.2 33.45 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 103.889 -2.634 . . . . 0.0 103.889 174.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 80.9 mt -92.09 113.4 25.66 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 178.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 36.1 t -88.54 167.39 13.46 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 175.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -42.29 -49.0 5.08 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.951 0.901 . . . . 0.0 112.882 -169.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 20.4 ttpp -62.41 -42.77 99.68 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.872 -0.518 . . . . 0.0 111.41 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -64.08 -44.41 92.45 Favored 'General case' 0 C--N 1.334 -0.069 0 O-C-N 121.471 -0.768 . . . . 0.0 109.938 178.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -54.84 -50.94 67.39 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 174.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -52.75 -49.31 65.73 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.466 0.706 . . . . 0.0 110.98 175.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -54.67 -48.31 72.52 Favored 'General case' 0 N--CA 1.464 0.227 0 O-C-N 121.26 -0.9 . . . . 0.0 110.993 175.36 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 10.0 tt -57.18 -56.23 24.53 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 119.313 -0.375 . . . . 0.0 110.791 178.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 44.8 pt -65.99 -32.05 56.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 118.82 0.736 . . . . 0.0 111.947 -174.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -60.64 -59.12 5.9 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 118.315 0.507 . . . . 0.0 109.89 170.027 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -54.6 -45.65 73.66 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.608 0.763 . . . . 0.0 111.014 -176.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -70.71 -14.33 62.41 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.076 1.351 . . . . 0.0 111.989 178.576 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 17.9 tp 70.66 1.07 3.54 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.178 1.791 . . . . 0.0 112.676 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.96 -25.29 60.79 Favored 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 120.994 -1.066 . . . . 0.0 111.614 179.428 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 10.4 pt -40.63 -35.84 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 123.907 0.883 . . . . 0.0 112.575 168.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -45.08 -40.6 7.32 Favored Glycine 0 CA--C 1.531 1.055 0 C-N-CA 123.782 0.706 . . . . 0.0 112.716 177.13 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 9.4 m 46.76 40.67 9.16 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.735 1.214 . . . . 0.0 112.772 177.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 3.9 tmtp? -109.05 -67.55 0.97 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.413 0.685 . . . . 0.0 112.139 -168.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 2.7 mp -96.15 -137.85 0.25 Allowed 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 -179.153 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -49.85 -32.02 13.3 Favored 'General case' 0 C--N 1.34 0.157 0 C-N-CA 123.786 0.834 . . . . 0.0 111.949 175.176 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -51.44 -38.01 51.54 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 172.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.8 -47.34 64.3 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 118.569 0.622 . . . . 0.0 110.53 169.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -65.35 -38.15 89.23 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 118.742 -0.647 . . . . 0.0 109.926 175.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 1.9 mp -62.58 -42.71 96.95 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 CA-C-N 120.086 1.312 . . . . 0.0 110.098 177.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 78.9 t -57.69 -42.99 82.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 O-C-N 121.514 -0.741 . . . . 0.0 109.702 172.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -57.23 -43.14 82.59 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.763 -0.586 . . . . 0.0 111.133 175.063 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 81.5 mt -60.21 -49.53 77.24 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 118.943 0.792 . . . . 0.0 110.575 175.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 62.1 tpp -51.97 -53.32 42.81 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 176.224 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -55.3 -48.74 73.66 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.816 0.847 . . . . 0.0 111.134 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -55.98 -49.6 73.13 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.313 0.645 . . . . 0.0 110.869 -179.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 88.7 mt -64.91 -43.78 91.71 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 120.49 0.186 . . . . 0.0 110.746 178.114 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -58.52 -48.04 82.17 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.122 0.969 . . . . 0.0 111.509 -178.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 62.45 -69.25 0.06 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 126.603 1.961 . . . . 0.0 111.497 -173.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -158.15 26.34 0.25 Allowed 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.151 1.38 . . . . 0.0 110.725 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -95.75 2.83 54.11 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.048 0.939 . . . . 0.0 112.298 -175.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -49.06 -23.08 1.05 Allowed 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 115.261 1.578 . . . . 0.0 115.261 -171.326 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -61.38 -48.02 83.17 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 118.456 0.571 . . . . 0.0 110.673 174.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -145.86 96.05 2.74 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 127.332 2.253 . . . . 0.0 109.319 -175.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 93.0 t -92.61 138.86 19.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -91.05 152.9 20.47 Favored 'General case' 0 C--N 1.332 -0.155 0 O-C-N 121.132 -0.98 . . . . 0.0 110.934 -168.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -40.01 -52.77 2.45 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.989 0.916 . . . . 0.0 112.873 173.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -62.06 -22.97 66.2 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 120.88 -1.137 . . . . 0.0 112.342 -178.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -71.53 -36.11 70.92 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 119.139 0.881 . . . . 0.0 110.698 171.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -61.5 -46.63 89.19 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.397 0.999 . . . . 0.0 108.358 174.339 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 43.8 mm -59.56 -60.41 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.313 178.058 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 36.0 p -61.31 -30.89 70.77 Favored 'General case' 0 C--O 1.225 -0.199 0 O-C-N 121.379 -0.826 . . . . 0.0 110.752 -177.102 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.86 -47.26 86.47 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.608 0.64 . . . . 0.0 111.239 169.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.6 -49.66 64.62 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 173.73 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -46.98 -66.89 1.64 Allowed Glycine 0 C--O 1.221 -0.672 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.476 175.024 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.25 -50.21 59.65 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.862 1.265 . . . . 0.0 111.516 -177.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 9.0 tt -49.71 -50.26 44.59 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 124.486 1.115 . . . . 0.0 110.408 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.46 -46.95 58.55 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 120.793 0.33 . . . . 0.0 111.344 175.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 23.6 ttp -59.85 -19.71 52.76 Favored 'General case' 0 C--N 1.333 -0.136 0 C-N-CA 126.235 1.814 . . . . 0.0 112.885 -169.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 13.5 tt -47.08 -37.83 4.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-N 118.016 0.371 . . . . 0.0 111.279 169.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 55.66 12.3 0.79 Allowed 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 115.1 1.519 . . . . 0.0 115.1 173.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -62.12 156.64 21.08 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 120.998 -1.064 . . . . 0.0 110.487 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 55.93 39.53 30.57 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.849 0.859 . . . . 0.0 110.785 -177.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 50.0 50.65 18.12 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.93 0.892 . . . . 0.0 110.059 -172.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 13.7 tp 52.19 57.89 6.0 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.759 1.224 . . . . 0.0 109.889 -169.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 23.6 tptm 72.04 -52.56 0.7 Allowed 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.893 1.677 . . . . 0.0 112.729 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.239 0 CA-C-O 117.418 -1.768 . . . . 0.0 111.316 -176.741 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.4 mmm . . . . . 0 N--CA 1.475 0.801 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.67 -19.74 48.31 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 122.893 0.477 . . . . 0.0 110.608 169.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.15 -52.68 11.85 Favored Pre-proline 0 CA--C 1.533 0.32 0 C-N-CA 125.036 1.335 . . . . 0.0 113.156 -175.387 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.33 -46.71 30.54 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 122.309 2.006 . . . . 0.0 112.547 177.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.5 mt -60.52 -49.47 77.43 Favored 'General case' 0 CA--C 1.528 0.125 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 178.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -58.91 -45.17 90.96 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 122.584 0.353 . . . . 0.0 111.854 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -58.14 -43.32 87.27 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.923 0.889 . . . . 0.0 109.526 175.119 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.13 -47.96 77.91 Favored 'General case' 0 CA--C 1.529 0.157 0 O-C-N 122.138 -0.351 . . . . 0.0 110.376 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 91.7 mt -53.41 -46.29 58.34 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 173.24 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.1 -54.75 17.79 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 125.119 1.342 . . . . 0.0 111.415 173.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.8 mt -55.62 -50.68 69.53 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 117.234 0.517 . . . . 0.0 110.27 176.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 mp -57.07 -56.74 17.81 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.563 0.619 . . . . 0.0 111.674 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.5 tt -62.78 -39.29 84.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 O-C-N 121.76 -0.588 . . . . 0.0 110.299 -177.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.94 -54.84 32.44 Favored Glycine 0 CA--C 1.528 0.894 0 N-CA-C 110.72 -0.952 . . . . 0.0 110.72 173.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 69.5 mt -55.45 -44.13 74.77 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 C-N-CA 123.645 0.778 . . . . 0.0 109.699 177.46 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -57.81 -52.04 67.09 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 118.418 0.554 . . . . 0.0 110.583 177.043 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -61.18 -34.82 75.68 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 121.874 -0.516 . . . . 0.0 111.08 179.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -67.11 -59.75 3.19 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -78.8 -77.58 0.17 Allowed 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.9 1.28 . . . . 0.0 110.307 -173.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -53.59 -45.06 69.88 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 123.301 0.64 . . . . 0.0 110.46 -177.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.29 9.48 47.96 Favored Glycine 0 CA--C 1.529 0.932 0 CA-C-O 118.369 -1.24 . . . . 0.0 114.233 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 37.66 53.74 1.46 Allowed 'General case' 0 C--O 1.234 0.251 0 C-N-CA 125.731 1.612 . . . . 0.0 112.143 177.667 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 44.96 27.7 0.3 Allowed 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.792 2.037 . . . . 0.0 114.275 178.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 141.65 -45.42 0.95 Allowed Glycine 0 C--N 1.337 0.601 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -173.284 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -76.49 70.86 3.09 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 117.784 0.792 . . . . 0.0 109.538 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -47.18 127.29 10.39 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.855 1.662 . . . . 0.0 113.409 -170.214 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -155.83 166.89 32.15 Favored 'General case' 0 N--CA 1.44 -0.972 0 C-N-CA 127.4 2.28 . . . . 0.0 107.169 -178.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 65.3 p -96.0 175.72 6.38 Favored 'General case' 0 N--CA 1.439 -1.019 0 C-N-CA 127.35 2.26 . . . . 0.0 105.809 170.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 tt -88.73 77.24 7.91 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 105.946 -1.872 . . . . 0.0 105.946 -170.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.6 p -93.13 172.51 8.26 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 114.926 -1.033 . . . . 0.0 110.36 -177.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.8 pttp -32.2 -43.94 0.08 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.844 1.657 . . . . 0.0 112.69 168.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -57.08 -58.75 6.84 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 121.62 0.724 . . . . 0.0 110.855 177.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.4 mp0 -61.77 -39.83 93.02 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.886 0.874 . . . . 0.0 109.37 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.3 tp -59.67 -57.99 10.52 Favored 'General case' 0 N--CA 1.453 -0.309 0 O-C-N 121.85 -0.531 . . . . 0.0 109.926 178.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -60.38 -37.38 80.58 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 118.739 0.699 . . . . 0.0 110.975 -177.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -53.17 -56.31 17.4 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 172.367 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.3 tt -57.39 -50.73 72.04 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 122.875 0.47 . . . . 0.0 110.948 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 34.8 mm -55.44 -53.95 30.54 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 -179.418 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -56.81 -47.78 79.49 Favored 'General case' 0 CA--C 1.531 0.228 0 O-C-N 122.265 -0.272 . . . . 0.0 111.009 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -66.74 -53.59 31.74 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-O 120.682 0.277 . . . . 0.0 111.699 -174.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -78.9 -19.78 51.03 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.153 0.581 . . . . 0.0 111.792 -174.371 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.5 mt 67.76 -63.78 0.3 Allowed 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.776 1.63 . . . . 0.0 110.328 -169.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.7 t 45.83 36.73 2.99 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 126.814 2.045 . . . . 0.0 113.802 170.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.5 tt -78.98 58.68 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 CA-C-O 122.019 0.914 . . . . 0.0 110.138 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -75.29 65.57 2.35 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.496 -1.042 . . . . 0.0 110.496 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.6 p -50.52 -38.56 45.15 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 125.689 1.596 . . . . 0.0 112.046 -175.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -67.68 76.06 0.19 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.209 1.004 . . . . 0.0 110.21 175.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.2 mp 73.08 -54.8 0.69 Allowed 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 127.583 2.353 . . . . 0.0 112.254 172.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -37.78 -61.68 0.61 Allowed 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 126.011 1.724 . . . . 0.0 113.118 -173.411 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 43.8 p30 -67.99 -43.79 78.11 Favored 'General case' 0 C--N 1.332 -0.192 0 O-C-N 121.075 -1.015 . . . . 0.0 112.787 -173.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.81 -45.32 59.35 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 171.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -60.51 -44.82 95.61 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 118.772 -0.632 . . . . 0.0 110.784 174.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 82.7 mt -60.64 -49.98 82.26 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 CA-C-N 119.579 1.081 . . . . 0.0 109.39 -179.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 69.4 t -56.45 -48.09 80.64 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 123.606 0.763 . . . . 0.0 110.017 177.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -57.41 -50.97 71.28 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 122.128 -0.357 . . . . 0.0 110.628 178.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 79.3 mt -58.07 -51.75 68.38 Favored 'General case' 0 N--CA 1.457 -0.099 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 55.1 mtt -51.99 -52.91 47.37 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 122.499 0.32 . . . . 0.0 110.467 177.053 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -55.23 -49.59 71.59 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.335 0.654 . . . . 0.0 111.672 178.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -57.95 -52.04 67.14 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 122.881 0.473 . . . . 0.0 111.119 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.8 mt -65.75 -45.22 83.39 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 123.533 0.733 . . . . 0.0 110.347 -177.131 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -72.92 76.39 1.17 Allowed 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.724 1.209 . . . . 0.0 109.635 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.4 -32.48 1.37 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.961 1.304 . . . . 0.0 113.198 172.572 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -67.92 -20.09 65.06 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.986 0.915 . . . . 0.0 113.25 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? 69.27 -53.95 0.58 Allowed 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 128.425 2.69 . . . . 0.0 112.222 -175.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -65.3 106.85 1.44 Allowed 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 105.958 -1.867 . . . . 0.0 105.958 166.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -38.42 100.43 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 126.406 1.883 . . . . 0.0 112.617 -176.184 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -145.08 74.46 1.41 Allowed 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 127.069 2.148 . . . . 0.0 106.974 174.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.6 t -90.48 114.37 27.94 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 N-CA-C 107.07 -1.455 . . . . 0.0 107.07 -173.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -90.13 165.99 13.66 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 -177.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -52.37 -36.49 53.93 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 121.743 -0.598 . . . . 0.0 112.482 178.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -52.5 -50.34 62.98 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.431 -0.793 . . . . 0.0 110.585 171.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -63.22 -43.7 97.35 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.63 -0.508 . . . . 0.0 109.63 179.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -52.52 -46.35 66.67 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.063 0.545 . . . . 0.0 110.779 175.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 22.6 mm -59.47 -50.04 81.37 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 O-C-N 121.719 -0.613 . . . . 0.0 110.735 177.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.9 p -61.18 -32.16 71.91 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 120.734 -1.228 . . . . 0.0 111.492 174.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.22 -43.3 98.5 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 175.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.58 -53.71 50.97 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 172.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -43.4 -55.51 5.15 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 123.813 0.72 . . . . 0.0 111.576 174.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.36 -53.43 55.04 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.416 0.686 . . . . 0.0 112.232 -178.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 53.7 mt -55.9 -38.51 70.3 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 124.49 1.116 . . . . 0.0 110.749 -178.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.65 -54.74 17.15 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 171.175 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 56.2 ttp -52.9 -40.19 63.32 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.404 1.082 . . . . 0.0 112.535 -173.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 40.2 pt -57.43 -28.61 31.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 CA-C-N 118.57 0.623 . . . . 0.0 111.871 177.465 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -75.54 66.13 1.87 Allowed 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 168.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -74.31 172.93 10.96 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 127.034 2.134 . . . . 0.0 111.817 -168.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 68.0 -65.41 0.25 Allowed 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 126.328 1.851 . . . . 0.0 110.533 -174.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -41.44 -50.78 3.87 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 125.841 1.657 . . . . 0.0 112.398 -176.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -121.38 43.52 2.79 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.941 0.496 . . . . 0.0 110.777 173.652 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -140.37 43.98 1.88 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.988 0.915 . . . . 0.0 110.214 173.102 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.178 0 CA-C-O 117.551 -1.694 . . . . 0.0 112.659 176.798 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 93.9 mtp . . . . . 0 N--CA 1.475 0.782 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.17 70.38 0.23 Allowed 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.974 1.309 . . . . 0.0 109.946 177.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 19.8 m -67.81 148.33 98.49 Favored Pre-proline 0 N--CA 1.45 -0.45 0 C-N-CA 124.927 1.291 . . . . 0.0 109.023 -173.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_exo -37.09 -54.77 1.01 Allowed 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 124.944 3.763 . . . . 0.0 115.457 -170.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.88 -51.08 68.81 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 122.143 -0.348 . . . . 0.0 110.4 178.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -65.97 -40.63 91.41 Favored 'General case' 0 N--CA 1.455 -0.211 0 O-C-N 121.901 -0.499 . . . . 0.0 111.012 -178.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.32 -43.94 79.47 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 173.457 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.2 -47.23 68.47 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 122.587 0.355 . . . . 0.0 110.397 -176.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 18.2 mm -52.45 -51.89 30.03 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 171.434 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.51 -52.7 27.76 Favored Glycine 0 CA--C 1.528 0.889 0 C-N-CA 124.616 1.103 . . . . 0.0 111.438 178.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.8 tp -57.49 -53.19 61.0 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 122.416 -0.461 . . . . 0.0 110.142 178.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 55.4 tp -55.22 -60.3 3.58 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.974 0.909 . . . . 0.0 111.035 -177.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.1 pp -64.2 -39.25 84.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 C-N-CA 123.016 0.526 . . . . 0.0 110.339 -176.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.01 -56.13 27.06 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 178.262 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 15.0 mm -64.98 -41.75 92.93 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 O-C-N 121.84 -0.8 . . . . 0.0 109.799 -178.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -52.95 -51.74 60.41 Favored 'General case' 0 CA--C 1.528 0.099 0 O-C-N 122.023 -0.423 . . . . 0.0 110.705 174.106 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.98 -38.66 79.63 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 123.843 0.857 . . . . 0.0 110.124 175.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -60.0 -47.47 85.69 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 118.484 0.584 . . . . 0.0 109.752 -176.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -64.2 -66.81 0.49 Allowed 'General case' 0 C--O 1.226 -0.178 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 170.028 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 19.0 m -55.51 -16.43 3.84 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 -169.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.75 -25.9 31.1 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 124.927 1.251 . . . . 0.0 113.876 178.168 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -71.57 94.16 1.29 Allowed 'General case' 0 C--N 1.342 0.261 0 CA-C-N 119.936 1.868 . . . . 0.0 108.78 177.626 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 76.92 -44.29 0.46 Allowed 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 127.027 2.131 . . . . 0.0 111.293 179.126 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.35 150.63 20.05 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.106 -1.198 . . . . 0.0 110.106 169.11 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -82.04 39.7 0.58 Allowed 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.363 -1.08 . . . . 0.0 111.913 -173.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt 71.06 -49.87 0.68 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.186 1.794 . . . . 0.0 113.536 174.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 48.6 t60 -79.34 -7.95 58.71 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.347 1.459 . . . . 0.0 112.482 -178.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 6.7 t -132.72 133.27 43.28 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 118.907 0.776 . . . . 0.0 110.909 -174.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 27.2 tp -94.41 102.19 14.16 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 105.818 -1.919 . . . . 0.0 105.818 170.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 93.8 p -123.13 172.6 8.45 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.856 1.262 . . . . 0.0 111.422 -169.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.9 tttm -28.53 -58.08 0.13 Allowed 'General case' 0 C--O 1.225 -0.219 0 C-N-CA 128.445 2.698 . . . . 0.0 114.833 -169.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -63.74 -50.2 70.03 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.535 0.683 . . . . 0.0 110.052 -172.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -59.14 -46.61 87.9 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.069 0.948 . . . . 0.0 109.832 178.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 89.3 mt -56.9 -49.98 73.92 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 119.052 -0.499 . . . . 0.0 110.599 176.195 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm -55.29 -51.2 67.46 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 118.612 0.642 . . . . 0.0 110.179 177.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -51.52 -58.11 7.21 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.475 0.58 . . . . 0.0 110.705 176.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 38.3 tp -51.21 -65.82 0.49 Allowed 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.65 0.38 . . . . 0.0 110.693 179.041 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 2.2 pp -59.76 -41.36 85.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 CA-C-O 119.047 -0.501 . . . . 0.0 111.289 -171.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -58.48 -46.25 87.02 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 119.305 0.957 . . . . 0.0 110.38 176.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.85 -48.32 77.21 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 120.109 -0.636 . . . . 0.0 110.457 179.045 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -54.36 -42.65 70.54 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.07 0.395 . . . . 0.0 111.579 176.46 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 52.5 mt -62.52 -47.87 82.03 Favored 'General case' 0 C--O 1.226 -0.176 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 178.209 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 48.6 m -55.6 -59.28 5.06 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 122.59 0.356 . . . . 0.0 110.101 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 15.1 pt -65.87 -33.91 66.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 O-C-N 121.972 -0.455 . . . . 0.0 111.008 -175.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.79 -55.24 31.53 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 174.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 74.0 m 68.45 -47.48 0.55 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 127.996 2.518 . . . . 0.0 113.061 -177.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -139.3 -60.88 0.56 Allowed 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 125.289 1.435 . . . . 0.0 108.338 176.003 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.4 158.29 17.95 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 170.619 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 71.19 -54.58 0.67 Allowed 'General case' 0 C--O 1.223 -0.334 0 C-N-CA 124.486 1.115 . . . . 0.0 111.918 -172.394 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -39.94 -57.02 1.7 Allowed 'General case' 0 C--N 1.334 -0.081 0 N-CA-C 116.317 1.969 . . . . 0.0 116.317 -167.055 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.29 -40.88 71.58 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.824 0.738 . . . . 0.0 110.232 179.315 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -67.53 -32.1 72.66 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 123.868 0.867 . . . . 0.0 110.465 174.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 24.0 mm -68.48 -43.89 83.52 Favored 'Isoleucine or valine' 0 C--N 1.342 0.257 0 CA-C-N 119.72 1.145 . . . . 0.0 109.659 176.401 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 96.8 t -57.73 -49.84 79.49 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 174.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -55.22 -47.44 75.32 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 122.335 -0.228 . . . . 0.0 110.892 177.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 49.4 tp -56.67 -53.14 61.13 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.933 0.893 . . . . 0.0 110.14 177.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 25.7 ttt -54.78 -49.09 71.77 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 122.993 0.517 . . . . 0.0 110.071 -179.223 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -57.62 -55.07 39.59 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 122.32 0.248 . . . . 0.0 110.706 176.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -53.12 -40.91 64.54 Favored 'General case' 0 CA--C 1.527 0.095 0 C-N-CA 125.166 1.386 . . . . 0.0 111.689 -177.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 78.5 mt -65.61 -61.36 2.13 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 171.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -48.55 -50.96 29.93 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.919 0.887 . . . . 0.0 112.445 -173.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -11.77 3.74 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -177.641 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -54.75 -39.17 68.04 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-N 118.97 0.805 . . . . 0.0 110.953 168.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -165.39 -63.02 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 121.964 0.888 . . . . 0.0 108.971 -170.453 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -176.32 -178.76 0.99 Allowed 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 129.345 3.058 . . . . 0.0 104.208 -174.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.37 54.16 0.42 Allowed 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 118.906 0.776 . . . . 0.0 110.379 169.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -147.57 70.64 1.17 Allowed 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 127.331 2.252 . . . . 0.0 107.203 -179.149 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 55.0 t -92.44 126.27 44.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 N-CA-C 106.795 -1.558 . . . . 0.0 106.795 -170.046 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -93.68 154.84 17.59 Favored 'General case' 0 N--CA 1.462 0.155 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 -177.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -47.78 -48.73 30.12 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.53 0.732 . . . . 0.0 112.806 -173.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -48.96 -47.54 43.8 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.635 -0.666 . . . . 0.0 111.699 173.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -66.53 -39.96 88.87 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -56.58 -49.68 74.18 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 119.05 -0.5 . . . . 0.0 111.304 174.233 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.46 -42.99 97.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-N 119.62 1.1 . . . . 0.0 110.293 177.472 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 17.7 m -58.3 -42.72 87.29 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.217 179.169 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -57.96 -50.45 73.34 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.1 1.36 . . . . 0.0 110.927 173.119 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 3.4 tt -50.95 -53.16 35.35 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 176.55 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -52.31 -53.18 32.64 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 124.125 0.869 . . . . 0.0 111.389 175.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.36 -42.24 70.08 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 124.183 0.993 . . . . 0.0 111.6 -178.014 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 53.3 mt -68.57 -62.13 1.53 Allowed 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 120.591 -0.443 . . . . 0.0 110.428 172.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.74 -40.42 69.29 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.193 0.597 . . . . 0.0 112.313 -169.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 4.2 ppp? -58.95 -24.06 62.18 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 118.521 -0.752 . . . . 0.0 112.553 -178.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 95.7 mt -51.48 -37.18 18.78 Favored 'Isoleucine or valine' 0 C--N 1.342 0.254 0 CA-C-N 119.253 0.933 . . . . 0.0 109.264 173.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -93.02 -54.36 3.76 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.762 0.825 . . . . 0.0 108.806 176.456 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.18 -24.55 64.86 Favored 'General case' 0 C--N 1.34 0.167 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -169.674 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -47.14 -36.06 8.0 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 123.514 0.725 . . . . 0.0 111.659 173.149 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -44.96 -42.97 8.68 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.282 0.633 . . . . 0.0 111.204 173.388 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 1.9 mp -83.29 46.49 1.14 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.071 0.949 . . . . 0.0 111.38 176.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 82.9 mttt 59.7 48.14 9.67 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.409 1.083 . . . . 0.0 109.732 170.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.235 0 CA-C-O 116.628 -2.207 . . . . 0.0 108.942 -169.876 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.8 mtt . . . . . 0 N--CA 1.476 0.828 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.98 76.49 0.08 Allowed 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 124.377 1.071 . . . . 0.0 109.538 176.467 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -46.12 -44.43 36.94 Favored Pre-proline 0 CA--C 1.535 0.377 0 C-N-CA 126.02 1.728 . . . . 0.0 114.238 -169.165 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -54.52 -54.78 4.04 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 122.191 1.927 . . . . 0.0 111.921 173.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 60.0 tp -60.8 -44.32 96.99 Favored 'General case' 0 C--O 1.224 -0.262 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 178.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -57.79 -47.16 83.35 Favored 'General case' 0 N--CA 1.455 -0.18 0 O-C-N 122.342 -0.224 . . . . 0.0 110.664 -177.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -59.5 -41.78 90.68 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 119.693 -0.194 . . . . 0.0 110.688 173.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.24 -51.52 67.41 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.199 0.454 . . . . 0.0 110.434 -178.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 20.2 mm -53.09 -53.29 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 124.33 1.052 . . . . 0.0 109.009 174.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.05 -51.37 25.29 Favored Glycine 0 CA--C 1.526 0.775 0 C-N-CA 123.941 0.781 . . . . 0.0 111.392 178.307 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.8 tt -59.42 -56.98 15.1 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.501 0.72 . . . . 0.0 109.981 178.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 54.9 mt -57.53 -49.14 77.32 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 123.445 0.698 . . . . 0.0 111.528 -174.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.5 mm -56.16 -55.85 16.32 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.29 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 173.39 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.91 -58.85 8.02 Favored Glycine 0 CA--C 1.525 0.678 0 C-N-CA 124.242 0.925 . . . . 0.0 111.712 -176.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.4 tt -59.93 -51.05 77.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 CA-C-N 117.487 0.644 . . . . 0.0 110.121 -178.254 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -57.83 -38.37 75.48 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.996 0.903 . . . . 0.0 111.125 -178.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -62.57 -33.93 75.94 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 124.035 0.934 . . . . 0.0 111.707 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.13 -50.44 72.81 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 119.876 1.216 . . . . 0.0 109.963 177.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -67.92 -43.89 78.14 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.195 -178.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.7 m -52.82 -47.47 67.66 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.215 0.531 . . . . 0.0 111.324 173.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.81 -43.15 99.62 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 126.261 1.886 . . . . 0.0 112.635 -170.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -77.28 47.0 0.53 Allowed 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 118.548 1.174 . . . . 0.0 112.716 -177.073 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -179.05 -41.14 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 129.445 3.098 . . . . 0.0 106.133 177.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.14 -63.31 4.34 Favored Glycine 0 C--N 1.338 0.676 0 C-N-CA 124.158 0.885 . . . . 0.0 111.185 169.319 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -76.74 63.73 2.21 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.398 0.679 . . . . 0.0 111.275 -173.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -150.52 -131.33 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.015 0.926 . . . . 0.0 110.148 169.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 35.6 p-80 151.23 -21.6 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 130.254 3.422 . . . . 0.0 108.53 -171.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 36.2 p -92.67 171.89 8.71 Favored 'General case' 0 N--CA 1.437 -1.076 0 N-CA-C 103.962 -2.607 . . . . 0.0 103.962 166.049 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.9 mt -99.29 145.31 27.44 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 107.243 -1.392 . . . . 0.0 107.243 168.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.9 p -99.65 158.99 15.37 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.87 0.868 . . . . 0.0 109.15 174.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -48.5 -37.74 18.34 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.01 0.524 . . . . 0.0 110.938 172.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -50.99 -46.23 61.33 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.765 0.826 . . . . 0.0 111.271 174.305 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -63.09 -43.46 98.44 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 118.069 0.395 . . . . 0.0 110.732 179.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.9 mt -59.97 -48.95 79.59 Favored 'General case' 0 C--O 1.225 -0.219 0 C-N-CA 120.314 -0.554 . . . . 0.0 109.896 177.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -58.58 -42.99 89.31 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 122.678 0.391 . . . . 0.0 110.504 179.05 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -57.29 -54.07 50.91 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.29 0.636 . . . . 0.0 109.923 174.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.3 tp -57.49 -51.49 69.24 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.018 0.527 . . . . 0.0 111.069 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.5 mp -52.17 -48.17 43.16 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 O-C-N 122.0 -0.437 . . . . 0.0 110.286 176.296 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -60.59 -39.42 88.02 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.925 0.784 . . . . 0.0 111.916 176.038 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -59.63 -48.59 81.08 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.359 0.663 . . . . 0.0 110.773 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -63.01 -35.0 78.76 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 120.871 0.367 . . . . 0.0 111.245 172.258 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 43.4 tp 65.27 -71.78 0.08 Allowed 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 128.865 2.866 . . . . 0.0 109.724 -177.027 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.2 t 177.88 39.57 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 127.816 2.447 . . . . 0.0 107.544 169.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 19.9 tt -153.67 -49.16 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 CA-C-O 118.159 -0.924 . . . . 0.0 111.068 -173.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 22.71 -89.44 0.01 OUTLIER Glycine 0 C--N 1.345 1.046 0 C-N-CA 127.121 2.296 . . . . 0.0 113.898 -176.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 71.8 m -149.07 54.44 0.98 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.164 0.985 . . . . 0.0 108.72 168.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.1 tptm 44.28 -80.88 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 129.048 2.939 . . . . 0.0 113.858 174.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.0 mp -53.85 -43.3 69.38 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 123.819 0.848 . . . . 0.0 108.918 175.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -52.07 -39.41 59.65 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.968 0.907 . . . . 0.0 111.523 174.275 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.41 -42.37 22.89 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-O 118.818 -0.611 . . . . 0.0 109.737 -176.123 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.29 -46.98 62.68 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 172.021 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -55.74 -50.09 71.33 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.817 173.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.0 mt -73.47 -33.34 39.58 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 C-N-CA 119.484 -0.887 . . . . 0.0 112.37 -171.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 65.1 t -65.72 -49.69 75.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 O-C-N 121.317 -0.864 . . . . 0.0 108.909 174.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -54.29 -48.46 71.24 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 174.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.3 tt -52.5 -60.99 2.57 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.282 0.633 . . . . 0.0 109.835 177.128 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -50.73 -56.96 9.58 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -178.389 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -49.8 -62.1 1.75 Allowed 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 122.654 0.381 . . . . 0.0 111.301 -178.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -68.71 -43.56 75.76 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -170.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 61.0 tp -64.19 -48.07 77.33 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.497 0.719 . . . . 0.0 110.347 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -72.91 -60.75 2.08 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 122.742 0.417 . . . . 0.0 110.031 -175.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.7 tpp180 59.86 -67.34 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.111 1.765 . . . . 0.0 112.327 -169.544 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -143.33 7.34 1.54 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.486 1.114 . . . . 0.0 112.31 171.157 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -76.61 46.76 0.46 Allowed 'General case' 0 CA--C 1.534 0.348 0 O-C-N 120.321 -1.487 . . . . 0.0 110.987 176.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -77.97 40.0 0.31 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.358 1.063 . . . . 0.0 110.645 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -134.06 -72.64 0.49 Allowed 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 125.861 1.664 . . . . 0.0 106.672 -174.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -140.27 144.01 36.22 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 125.963 1.705 . . . . 0.0 107.498 168.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 71.6 t -111.34 136.74 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 126.02 1.728 . . . . 0.0 106.634 172.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -92.54 142.7 27.11 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -173.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -48.53 -39.78 24.57 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.998 -0.439 . . . . 0.0 111.262 171.099 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -50.15 -43.88 52.28 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.609 -0.682 . . . . 0.0 111.371 172.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -69.81 -39.89 76.25 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 118.717 -0.659 . . . . 0.0 110.247 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -55.1 -48.76 73.14 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.082 0.856 . . . . 0.0 110.437 173.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 32.0 mm -59.06 -56.67 15.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 O-C-N 121.904 -0.497 . . . . 0.0 110.752 175.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 29.1 m -57.42 -38.72 74.8 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 121.812 -0.555 . . . . 0.0 110.401 -176.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -57.26 -45.51 83.95 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.422 1.489 . . . . 0.0 111.034 173.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.4 tt -54.55 -51.8 64.08 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 174.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.59 -53.32 17.24 Favored Glycine 0 CA--C 1.53 0.976 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.814 174.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.16 -53.5 57.35 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.154 0.982 . . . . 0.0 110.938 -178.151 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.7 mp -55.1 -51.01 67.73 Favored 'General case' 0 CA--C 1.527 0.083 0 O-C-N 122.093 -0.379 . . . . 0.0 110.398 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.31 -47.72 80.79 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 121.19 -0.204 . . . . 0.0 111.321 178.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 28.1 ttt -57.52 -42.31 82.56 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.827 0.851 . . . . 0.0 111.282 178.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 15.8 mm -66.94 -44.84 88.41 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 124.064 0.946 . . . . 0.0 110.4 177.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.9 m-30 -55.33 -44.61 76.05 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 174.146 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 67.01 -68.05 0.15 Allowed 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 126.457 1.903 . . . . 0.0 114.166 167.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -58.12 -50.88 71.93 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.539 0.736 . . . . 0.0 109.067 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.85 -52.1 63.86 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.16 176.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 33.9 tp -50.66 -60.3 3.18 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 123.069 0.547 . . . . 0.0 110.066 178.532 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -53.08 -50.0 65.29 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.282 1.033 . . . . 0.0 111.192 -177.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.209 0 CA-C-O 117.044 -1.976 . . . . 0.0 112.685 -175.651 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mmm . . . . . 0 N--CA 1.473 0.704 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 50.73 41.11 25.77 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.031 0.933 . . . . 0.0 110.305 -170.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 7.0 p -137.12 75.51 47.1 Favored Pre-proline 0 N--CA 1.449 -0.497 0 C-N-CA 126.182 1.793 . . . . 0.0 109.204 -169.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -74.91 71.35 4.96 Favored 'Trans proline' 0 N--CA 1.454 -0.794 0 C-N-CA 123.118 2.545 . . . . 0.0 109.288 178.078 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 14.2 tp -57.69 -32.95 67.85 Favored 'General case' 0 N--CA 1.454 -0.239 0 O-C-N 121.697 -0.627 . . . . 0.0 110.171 -177.464 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -53.0 -45.94 68.13 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.815 -0.553 . . . . 0.0 112.42 170.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.16 -37.82 86.58 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 176.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.63 -50.74 71.32 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 121.323 0.582 . . . . 0.0 110.198 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 68.5 mt -55.3 -47.47 77.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 124.571 1.148 . . . . 0.0 108.687 174.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.64 -48.93 35.02 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 123.88 0.753 . . . . 0.0 111.955 173.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.54 -52.41 65.67 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.529 0.732 . . . . 0.0 109.807 179.018 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -55.5 -52.07 64.91 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.909 0.884 . . . . 0.0 110.378 -179.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 24.1 mt -49.64 -51.8 14.3 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 C-N-CA 125.03 1.332 . . . . 0.0 109.822 172.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -47.48 -64.69 2.72 Favored Glycine 0 CA--C 1.523 0.563 0 C-N-CA 124.565 1.079 . . . . 0.0 110.849 178.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 6.6 tp -58.34 -48.31 85.36 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 CA-C-N 117.311 0.556 . . . . 0.0 110.609 -178.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -47.53 -55.21 9.63 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 122.723 0.409 . . . . 0.0 111.107 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . 0.276 1.0 OUTLIER -80.23 -1.26 39.83 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -174.691 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt -66.72 -53.41 33.74 Favored 'General case' 0 C--N 1.34 0.177 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 167.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -66.11 -47.76 73.12 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.456 172.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 2.0 m -99.75 43.17 1.07 Allowed 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.078 0.951 . . . . 0.0 111.879 -169.166 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -179.82 -61.59 0.08 OUTLIER Glycine 0 C--N 1.333 0.393 0 O-C-N 121.086 -1.009 . . . . 0.0 111.403 179.358 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -73.33 71.71 1.26 Allowed 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 177.136 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 63.74 -155.59 0.32 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.952 1.301 . . . . 0.0 108.23 -168.498 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.94 -78.81 0.5 Allowed Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -176.356 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -152.23 163.88 38.52 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.48 1.112 . . . . 0.0 108.56 177.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -99.73 97.17 8.14 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.048 0.939 . . . . 0.0 111.033 -168.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 61.18 9.25 2.37 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.92 1.288 . . . . 0.0 113.178 170.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 33.1 p -145.8 154.16 41.72 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 129.572 3.149 . . . . 0.0 102.831 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 60.9 tp -101.34 145.19 29.23 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 -172.259 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 21.8 p -92.94 152.45 19.35 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -53.63 -39.35 64.9 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 168.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -49.55 -63.41 1.11 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.136 0.574 . . . . 0.0 111.566 173.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.33 -33.41 71.46 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 121.661 -0.649 . . . . 0.0 111.137 -173.49 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 42.2 tp -58.38 -50.19 74.55 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.925 -0.484 . . . . 0.0 109.858 172.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -59.94 -40.26 88.37 Favored 'General case' 0 N--CA 1.456 -0.173 0 O-C-N 121.791 -0.568 . . . . 0.0 110.758 175.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -54.83 -57.45 11.52 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.987 0.812 . . . . 0.0 109.321 175.38 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 62.6 tp -52.31 -55.59 20.45 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.271 0.628 . . . . 0.0 110.231 178.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 73.0 mt -54.12 -50.77 52.58 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.132 0 C-N-CA 123.015 0.526 . . . . 0.0 110.068 -178.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -55.21 -46.02 75.89 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 119.157 -0.449 . . . . 0.0 110.614 178.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 5.0 mmtm -58.8 -55.54 33.76 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 118.699 0.681 . . . . 0.0 111.105 175.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -53.92 -38.26 64.67 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 122.085 -0.384 . . . . 0.0 111.91 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 52.8 tp -81.14 -51.23 8.68 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.826 0.85 . . . . 0.0 111.335 -170.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 63.4 m 28.4 -90.75 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 128.149 2.58 . . . . 0.0 113.342 -172.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 8.6 tp -50.49 -37.07 14.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 C-N-CA 123.808 0.843 . . . . 0.0 111.769 -177.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -80.86 12.61 34.95 Favored Glycine 0 CA--C 1.531 1.077 0 CA-C-O 118.958 -0.912 . . . . 0.0 113.86 -176.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 32.1 m -81.64 55.84 2.81 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 120.246 2.023 . . . . 0.0 111.764 -174.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -115.81 -131.65 0.32 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.671 0.789 . . . . 0.0 109.686 169.095 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 82.1 mt -56.1 -26.3 49.14 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.678 1.191 . . . . 0.0 112.242 -173.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 27.0 mp0 -43.99 -30.79 0.77 Allowed 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 125.394 1.478 . . . . 0.0 111.851 169.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -53.94 -31.17 49.5 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 119.666 1.121 . . . . 0.0 113.542 176.034 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.98 -45.96 82.57 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 119.471 1.032 . . . . 0.0 109.594 170.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -64.07 -36.37 83.79 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 118.301 -0.857 . . . . 0.0 110.01 172.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 41.2 mm -63.71 -44.17 98.28 Favored 'Isoleucine or valine' 0 C--N 1.344 0.34 0 CA-C-N 120.077 1.308 . . . . 0.0 110.714 177.041 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 70.7 t -57.21 -49.25 80.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-N 118.97 0.804 . . . . 0.0 109.48 175.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -54.75 -49.59 70.48 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 122.347 -0.221 . . . . 0.0 110.835 176.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 62.8 tp -56.99 -54.1 50.54 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.249 1.02 . . . . 0.0 110.017 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 85.7 mmm -52.32 -52.86 50.74 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.604 0.762 . . . . 0.0 110.15 178.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -54.49 -55.19 31.62 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 122.352 0.261 . . . . 0.0 110.483 178.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -53.07 -52.92 57.0 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.434 0.693 . . . . 0.0 111.083 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 97.0 mt -58.66 -39.3 80.23 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 122.669 0.387 . . . . 0.0 111.091 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -75.53 50.67 0.55 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.26 0.624 . . . . 0.0 112.682 -175.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -60.76 -30.51 70.06 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 121.14 -0.975 . . . . 0.0 109.014 168.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -50.24 -29.46 9.56 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.868 1.667 . . . . 0.0 112.799 169.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt 50.34 51.03 17.59 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.864 1.266 . . . . 0.0 111.055 -176.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -156.38 147.19 21.9 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 -177.136 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.05 -38.32 70.46 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.971 0.908 . . . . 0.0 110.863 176.263 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -93.05 104.1 16.34 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 174.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 27.8 m -93.06 146.18 6.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -87.83 159.46 18.4 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 121.541 -0.725 . . . . 0.0 110.051 -168.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -44.65 -41.69 6.88 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.934 1.294 . . . . 0.0 112.401 178.691 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 63.7 tp60 -53.87 -41.49 67.59 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.704 0.684 . . . . 0.0 111.368 175.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -63.47 -43.54 97.03 Favored 'General case' 0 N--CA 1.455 -0.222 0 O-C-N 121.505 -0.747 . . . . 0.0 109.211 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -58.98 -46.97 86.81 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 122.458 0.303 . . . . 0.0 110.846 174.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 13.7 mm -58.08 -46.98 88.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 O-C-N 121.555 -0.715 . . . . 0.0 110.444 176.243 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 13.2 m -59.76 -40.95 89.91 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.442 -0.787 . . . . 0.0 109.685 177.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -60.7 -41.42 95.17 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 119.114 -0.47 . . . . 0.0 111.046 173.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.9 tt -54.64 -50.24 68.62 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 173.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -49.87 -56.66 11.29 Favored Glycine 0 CA--C 1.526 0.78 0 C-N-CA 123.323 0.487 . . . . 0.0 112.126 174.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.71 -54.82 39.63 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 117.721 0.76 . . . . 0.0 110.914 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 49.7 tp -52.43 -47.95 66.04 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.682 1.193 . . . . 0.0 110.272 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.13 -49.86 76.27 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 122.179 -0.325 . . . . 0.0 110.886 175.029 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 91.0 mmm -61.61 -26.03 67.72 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.339 0.656 . . . . 0.0 112.677 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 87.0 mt -52.17 -37.28 22.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 CA-C-N 120.05 1.295 . . . . 0.0 109.336 169.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -91.48 26.2 2.37 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.847 0.859 . . . . 0.0 111.86 178.303 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -45.3 -40.15 7.37 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 124.46 1.104 . . . . 0.0 112.076 177.311 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -55.63 -47.91 75.82 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.149 0.58 . . . . 0.0 110.873 177.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.37 -45.44 46.95 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.192 0.597 . . . . 0.0 110.064 -178.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 6.4 tt -48.17 -56.96 6.59 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.689 1.196 . . . . 0.0 109.508 175.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -61.79 -63.87 1.12 Allowed 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 175.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.212 0 CA-C-O 117.249 -1.862 . . . . 0.0 109.487 -172.539 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.0 p . . . . . 0 N--CA 1.451 -0.382 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -51.75 -45.64 36.95 Favored 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 122.773 2.315 . . . . 0.0 111.224 168.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 60.9 tp -51.73 -58.78 5.41 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 123.484 0.713 . . . . 0.0 110.168 174.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -57.44 -46.97 82.99 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 111.477 0.177 . . . . 0.0 111.477 -177.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -54.63 -45.43 73.72 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 122.757 0.423 . . . . 0.0 110.248 175.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.88 -56.39 12.07 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 -174.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 18.4 pt -60.96 -41.05 87.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.35 -57.01 16.74 Favored Glycine 0 CA--C 1.526 0.733 0 C-N-CA 124.251 0.929 . . . . 0.0 111.068 176.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.7 mt -52.89 -48.81 66.89 Favored 'General case' 0 C--O 1.227 -0.126 0 CA-C-N 117.074 0.437 . . . . 0.0 110.206 175.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.0 tt -60.1 -57.38 13.07 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 120.515 0.198 . . . . 0.0 111.437 -175.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.8 pt -64.78 -38.24 82.21 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 O-C-N 121.527 -0.733 . . . . 0.0 110.612 -178.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.73 -58.85 12.11 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 111.059 -0.817 . . . . 0.0 111.059 177.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -59.51 -40.45 81.9 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 O-C-N 122.014 -0.698 . . . . 0.0 109.158 -178.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -53.61 -52.73 58.91 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.484 0.584 . . . . 0.0 111.552 171.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -59.43 -33.01 70.73 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 122.965 0.506 . . . . 0.0 111.11 -178.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -71.17 -61.52 1.74 Allowed 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 173.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -43.47 -47.08 7.06 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 125.699 1.6 . . . . 0.0 111.602 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.0 m -39.18 -38.48 0.5 Allowed 'General case' 0 C--O 1.238 0.456 0 C-N-CA 126.266 1.826 . . . . 0.0 113.612 176.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -150.18 77.71 0.23 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 109.099 -1.6 . . . . 0.0 109.099 175.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -52.29 -38.64 58.93 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 119.011 1.405 . . . . 0.0 109.977 170.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -47.97 -39.53 19.69 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.678 1.591 . . . . 0.0 113.032 170.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 174.65 117.94 0.49 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 104.645 -3.382 . . . . 0.0 104.645 -173.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -57.68 85.09 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -166.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -65.63 155.51 35.66 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.545 1.138 . . . . 0.0 108.737 168.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -93.59 -8.82 40.1 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.401 0.681 . . . . 0.0 111.697 -178.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.0 p -126.58 158.89 35.07 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 127.422 2.289 . . . . 0.0 105.037 175.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.2 tp -91.44 126.24 36.46 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 122.835 0.454 . . . . 0.0 109.973 -167.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.5 p -93.96 147.29 23.24 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 122.867 0.467 . . . . 0.0 111.785 -175.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -50.33 -40.95 50.42 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 123.2 0.6 . . . . 0.0 111.377 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -46.9 -57.26 5.13 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.156 0.582 . . . . 0.0 110.536 175.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -72.19 -37.24 69.33 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.493 -173.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 67.3 tp -53.38 -49.25 67.59 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 120.893 0.378 . . . . 0.0 110.305 170.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -65.23 -39.76 93.18 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.611 0.765 . . . . 0.0 110.512 -178.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -55.72 -53.2 59.57 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 121.378 -0.826 . . . . 0.0 110.464 170.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 66.2 tp -54.18 -50.7 66.43 Favored 'General case' 0 C--O 1.223 -0.309 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.0 mt -54.52 -54.17 24.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 C-N-CA 122.931 0.492 . . . . 0.0 110.101 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -55.27 -49.81 71.13 Favored 'General case' 0 CA--C 1.531 0.227 0 O-C-N 121.771 -0.581 . . . . 0.0 111.221 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -58.31 -50.87 72.09 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 120.838 0.351 . . . . 0.0 110.447 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 . . . . . 0 N--CA 1.45 -0.454 0 C-N-CA 124.686 1.194 . . . . 0.0 110.799 177.309 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 . . . . . 0 N--CA 1.451 -0.391 0 CA-C-O 119.053 -0.499 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.4 mt -68.88 -42.06 82.35 Favored 'Isoleucine or valine' 0 C--N 1.341 0.221 0 CA-C-N 119.216 0.916 . . . . 0.0 110.216 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 70.6 t -56.47 -52.66 50.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 175.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -54.18 -56.62 16.44 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 177.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 36.2 tp -47.46 -63.12 1.13 Allowed 'General case' 0 C--O 1.226 -0.17 0 C-N-CA 124.783 1.233 . . . . 0.0 109.326 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 49.3 ttp -55.8 -53.5 55.88 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 123.252 0.621 . . . . 0.0 110.213 -175.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -55.91 -53.91 51.12 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 122.221 0.208 . . . . 0.0 111.167 -178.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -65.85 -45.26 82.87 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 122.206 -0.309 . . . . 0.0 111.041 -175.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.5 tp -77.66 -55.56 5.25 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.832 0.853 . . . . 0.0 111.319 -169.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -84.09 67.63 9.77 Favored 'General case' 0 C--O 1.231 0.108 0 O-C-N 121.798 -0.564 . . . . 0.0 110.619 -169.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -75.08 72.63 2.21 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.273 0.559 . . . . 0.0 109.786 177.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 78.04 -53.87 0.5 Allowed 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 126.938 2.095 . . . . 0.0 109.577 -178.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -58.87 101.21 0.08 Allowed 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 170.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -126.1 -53.82 1.51 Allowed 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 125.053 1.341 . . . . 0.0 110.762 -172.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.444 ' NE2' ' H ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -44.59 -45.52 9.52 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 122.407 1.098 . . . . 0.0 111.423 173.439 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.444 ' H ' ' NE2' ' A' ' 66' ' ' GLN . 32.7 tt0 -142.86 138.7 30.48 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 105.185 -2.154 . . . . 0.0 105.185 169.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.1 t -119.44 142.14 36.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 C-N-CA 125.827 1.651 . . . . 0.0 107.794 -173.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -92.99 144.36 25.33 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 121.364 0.602 . . . . 0.0 110.879 -170.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -42.71 -42.81 3.65 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.186 1.394 . . . . 0.0 113.528 176.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -54.73 -43.62 72.82 Favored 'General case' 0 C--O 1.233 0.217 0 O-C-N 121.358 -0.839 . . . . 0.0 111.064 178.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -64.03 -46.04 86.23 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 -178.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -54.06 -46.08 71.87 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 122.773 0.429 . . . . 0.0 111.033 173.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 12.1 mm -58.4 -52.62 57.08 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 118.602 0.637 . . . . 0.0 110.741 177.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.1 p -59.28 -38.29 79.79 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 120.57 -1.331 . . . . 0.0 111.044 177.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -60.79 -38.98 87.16 Favored 'General case' 0 CA--C 1.529 0.172 0 O-C-N 121.96 -0.463 . . . . 0.0 111.31 173.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.2 tt -53.3 -52.65 58.41 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 173.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.51 -57.92 13.96 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 112.093 -0.403 . . . . 0.0 112.093 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.5 -43.72 80.01 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.432 0.693 . . . . 0.0 111.707 -177.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.2 tp -62.73 -58.75 6.38 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.679 0.792 . . . . 0.0 108.891 177.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -52.69 -38.09 60.01 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.476 0.71 . . . . 0.0 111.463 -178.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 46.0 tpp -50.66 -37.22 39.58 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.319 0.509 . . . . 0.0 112.095 175.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 46.5 mm -58.15 -32.77 45.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 O-C-N 121.37 -0.831 . . . . 0.0 110.66 178.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -75.0 7.39 3.27 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.752 0.821 . . . . 0.0 111.192 179.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -5.2 -68.06 0.0 OUTLIER 'General case' 0 C--N 1.345 0.383 0 C-N-CA 129.461 3.105 . . . . 0.0 115.767 175.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -56.12 -51.91 66.24 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 118.846 0.748 . . . . 0.0 110.682 -177.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.76 -38.07 76.63 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.156 0.582 . . . . 0.0 110.081 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 54.1 tp . . . . . 0 CA--C 1.532 0.263 0 C-N-CA 122.998 0.519 . . . . 0.0 110.972 179.38 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.537 0.468 0 N-CA-C 115.468 1.655 . . . . 0.0 115.468 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -59.88 -44.98 26.79 Favored 'Trans proline' 0 CA--C 1.535 0.526 0 C-N-CA 122.089 1.859 . . . . 0.0 111.644 178.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.65 -50.17 72.25 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 179.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -57.25 -40.95 78.69 Favored 'General case' 0 C--O 1.224 -0.272 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 177.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.69 -45.14 81.96 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 122.973 0.509 . . . . 0.0 110.117 172.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.51 -46.41 86.21 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.942 -0.474 . . . . 0.0 110.744 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 27.3 mm -53.98 -48.52 63.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 172.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.65 -52.67 24.07 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 125.018 1.294 . . . . 0.0 111.114 176.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 80.0 mt -59.15 -48.92 79.82 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 117.751 0.776 . . . . 0.0 111.039 176.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 6.0 tt -55.8 -49.21 73.81 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 118.431 0.559 . . . . 0.0 111.455 -178.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 16.9 mm -54.63 -51.19 53.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 C-N-CA 123.997 0.919 . . . . 0.0 108.794 171.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -41.03 -53.58 3.85 Favored Glycine 0 CA--C 1.526 0.746 0 C-N-CA 126.182 1.848 . . . . 0.0 111.534 174.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 44.5 mm -68.17 -62.99 1.03 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 118.016 0.908 . . . . 0.0 110.33 177.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -51.37 -47.84 62.7 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.439 0.696 . . . . 0.0 112.423 -168.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 11.4 p-80 -62.49 -25.92 68.26 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -172.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -59.95 -40.41 88.88 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 118.831 0.742 . . . . 0.0 109.84 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -73.88 -58.9 2.99 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 174.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.7 t -55.98 -33.29 64.69 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.154 0.582 . . . . 0.0 112.494 -169.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.92 -36.17 55.12 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 121.636 -0.665 . . . . 0.0 112.039 174.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 34.1 mtmm -77.59 66.5 3.32 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.655 -0.909 . . . . 0.0 110.353 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 65.61 22.82 11.71 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 126.421 1.888 . . . . 0.0 113.759 173.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.51 51.93 4.04 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 110.381 -1.088 . . . . 0.0 110.381 171.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -60.09 152.41 24.29 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.487 0.715 . . . . 0.0 110.425 -173.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt 66.56 20.57 10.81 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.954 1.302 . . . . 0.0 111.89 -176.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 9.6 m80 68.24 62.86 0.37 Allowed 'General case' 0 C--O 1.234 0.275 0 C-N-CA 124.73 1.212 . . . . 0.0 109.298 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 35.7 p -130.91 173.14 11.27 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 124.129 0.972 . . . . 0.0 109.39 -176.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 50.8 tp -128.61 102.05 6.43 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 129.434 3.094 . . . . 0.0 105.332 -177.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 94.1 p -92.52 167.15 12.14 Favored 'General case' 0 CA--C 1.529 0.152 0 O-C-N 121.954 -0.466 . . . . 0.0 111.867 -169.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.39 -46.92 13.52 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.758 1.223 . . . . 0.0 111.48 179.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -50.92 -57.83 7.54 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.195 0.998 . . . . 0.0 109.739 176.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -59.81 -42.93 94.58 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.924 -176.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 63.0 mt -56.5 -56.6 19.25 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 118.532 -0.747 . . . . 0.0 110.466 175.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -58.82 -38.39 78.52 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.873 1.215 . . . . 0.0 111.288 -176.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -59.54 -53.72 54.79 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 121.51 -0.744 . . . . 0.0 110.846 173.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 68.5 tp -54.08 -52.24 61.59 Favored 'General case' 0 C--O 1.225 -0.222 0 C-N-CA 122.727 0.411 . . . . 0.0 110.339 178.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 9.9 mm -50.52 -52.78 14.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 C-N-CA 124.47 1.108 . . . . 0.0 110.204 177.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -54.39 -50.9 66.45 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.051 0.387 . . . . 0.0 110.862 177.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.535 0.386 0 CA-C-N 118.021 0.373 . . . . 0.0 111.863 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 11.8 tp . . . . . 0 N--CA 1.455 -0.199 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -50.69 -55.38 16.84 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.07 0.548 . . . . 0.0 109.556 -176.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -54.96 -60.15 3.77 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 122.257 0.223 . . . . 0.0 111.184 179.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -56.27 -43.6 78.93 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 123.829 0.852 . . . . 0.0 111.437 -172.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 11.1 mp -76.31 -41.57 48.12 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 119.605 -0.236 . . . . 0.0 111.051 -178.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -78.26 60.15 2.45 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -171.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -80.74 64.18 5.42 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 105.013 -2.218 . . . . 0.0 105.013 165.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 69.67 -41.24 0.48 Allowed 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.817 2.047 . . . . 0.0 113.016 -173.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -70.45 23.7 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 -169.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -48.54 -32.36 7.89 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 120.105 1.32 . . . . 0.0 112.575 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . 0.412 ' NE2' ' H ' ' B' ' 66' ' ' GLN . 4.1 mp0 -58.3 -47.51 83.44 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 125.266 1.427 . . . . 0.0 111.074 179.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -146.62 93.6 2.31 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 126.015 1.726 . . . . 0.0 108.53 -178.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 90.9 t -92.08 141.96 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 N-CA-C 106.061 -1.829 . . . . 0.0 106.061 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -91.35 147.03 23.32 Favored 'General case' 0 C--N 1.332 -0.174 0 O-C-N 120.952 -1.092 . . . . 0.0 109.712 -171.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -42.12 -45.11 3.89 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 174.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -57.36 -33.54 67.89 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.153 -0.967 . . . . 0.0 111.959 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -71.34 -40.36 70.77 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 121.512 -0.743 . . . . 0.0 109.969 176.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -57.11 -45.92 83.04 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.857 -0.527 . . . . 0.0 110.41 171.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 22.8 mm -57.21 -48.43 82.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 O-C-N 121.29 -0.881 . . . . 0.0 110.697 172.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 29.4 m -55.94 -39.83 72.29 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 121.798 -0.564 . . . . 0.0 110.443 176.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -60.88 -42.81 98.68 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.325 0.65 . . . . 0.0 111.44 174.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 tt -53.06 -48.53 67.62 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 172.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.56 -57.65 8.17 Favored Glycine 0 CA--C 1.531 1.067 0 N-CA-C 111.471 -0.651 . . . . 0.0 111.471 170.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.04 -41.67 71.69 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 125.333 1.453 . . . . 0.0 112.04 -176.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 78.4 mt -56.62 -59.23 5.3 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 173.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.86 -39.93 75.22 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.997 -0.44 . . . . 0.0 111.374 -179.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 47.4 mtt -56.93 -14.01 3.17 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -178.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 2.0 pp -57.42 -18.95 9.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 CA-C-N 119.832 1.196 . . . . 0.0 112.065 169.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 12.8 m-30 -63.73 78.25 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.834 0.743 . . . . 0.0 109.877 169.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.92 151.88 6.21 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 124.341 1.056 . . . . 0.0 112.438 -176.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 66.57 -68.39 0.14 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 125.659 1.584 . . . . 0.0 110.091 -171.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -46.59 -50.01 18.07 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.901 1.281 . . . . 0.0 111.609 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 97.4 mt . . . . . 0 CA--C 1.531 0.217 0 C-N-CA 124.263 1.025 . . . . 0.0 109.709 173.093 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 CA--C 1.54 0.567 0 N-CA-C 115.267 1.581 . . . . 0.0 115.267 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -55.2 -50.64 12.37 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 122.265 1.977 . . . . 0.0 112.6 177.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.8 mp -60.66 -42.81 97.77 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -60.15 -54.63 43.54 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 122.398 0.279 . . . . 0.0 110.804 -177.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -63.83 -33.21 75.16 Favored 'General case' 0 CA--C 1.531 0.212 0 O-C-N 122.072 -0.392 . . . . 0.0 110.723 178.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.4 -51.91 63.83 Favored 'General case' 0 C--N 1.34 0.162 0 CA-C-N 118.398 0.545 . . . . 0.0 109.75 178.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.2 mm -49.67 -59.02 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.339 0.152 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 172.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.52 -54.97 9.82 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.649 -0.58 . . . . 0.0 111.649 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.26 -57.81 10.04 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.532 0.733 . . . . 0.0 110.197 -176.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 55.8 mt -61.68 -49.42 76.57 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 123.117 0.567 . . . . 0.0 111.066 -173.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.2 mp -70.37 -33.91 55.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -178.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.11 -54.39 31.89 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 170.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.9 mt -52.57 -51.86 31.14 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 117.532 0.666 . . . . 0.0 109.51 175.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -51.09 -46.3 61.76 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 121.205 0.526 . . . . 0.0 110.885 176.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 54.6 m80 -70.25 -10.94 60.41 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -57.15 -38.96 74.3 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 120.698 1.59 . . . . 0.0 108.098 167.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -81.63 -70.07 0.57 Allowed 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.154 0.982 . . . . 0.0 110.421 170.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.8 m -68.2 -5.95 20.86 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 -168.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.06 -36.38 93.38 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.366 -1.094 . . . . 0.0 110.366 169.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -63.0 -50.42 70.82 Favored 'General case' 0 C--N 1.341 0.209 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 172.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -81.03 54.2 2.16 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 122.78 0.432 . . . . 0.0 110.902 178.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.79 158.79 23.59 Favored Glycine 0 CA--C 1.531 1.078 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 175.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . 0.29 0.7 OUTLIER 68.69 -44.3 0.52 Allowed 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 126.56 1.944 . . . . 0.0 113.124 -175.74 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -71.49 -50.74 28.55 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 171.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 53.85 53.06 11.87 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.097 1.359 . . . . 0.0 110.65 -176.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.9 p -134.68 172.91 12.28 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 127.621 2.369 . . . . 0.0 105.985 174.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.6 tt -124.44 105.7 9.62 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.757 1.223 . . . . 0.0 108.136 -171.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.8 p -92.79 167.83 11.6 Favored 'General case' 0 N--CA 1.462 0.174 0 O-C-N 120.861 -1.149 . . . . 0.0 111.39 -173.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.7 pttt -33.46 -40.05 0.06 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.616 1.966 . . . . 0.0 114.714 172.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -61.8 -56.75 16.2 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.855 0.836 . . . . 0.0 110.279 177.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.4 mp0 -62.16 -39.6 93.17 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 124.215 1.006 . . . . 0.0 110.204 178.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.0 tp -58.27 -52.91 63.6 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 176.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -53.73 -49.09 68.9 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 177.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 54.1 tt0 -51.98 -56.62 13.11 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 122.644 0.378 . . . . 0.0 110.886 177.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 49.3 tp -55.29 -59.23 5.08 Favored 'General case' 0 N--CA 1.458 -0.049 0 C-N-CA 123.768 0.827 . . . . 0.0 110.301 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 33.9 mm -53.37 -51.66 38.98 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 C-N-CA 123.766 0.826 . . . . 0.0 109.265 -177.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -52.08 -50.0 62.45 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.453 0.701 . . . . 0.0 110.609 177.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -59.77 -46.13 90.13 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 117.845 0.293 . . . . 0.0 111.349 178.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 . . . . . 0 CA--C 1.535 0.37 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 178.173 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 . . . . . 0 CA--C 1.538 0.51 0 CA-C-O 118.886 -0.578 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.5 mm -66.4 -42.99 91.38 Favored 'Isoleucine or valine' 0 C--N 1.343 0.313 0 CA-C-N 119.854 1.207 . . . . 0.0 109.998 175.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 92.7 t -58.12 -46.68 88.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 O-C-N 121.493 -0.754 . . . . 0.0 109.981 173.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -56.39 -46.27 80.2 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.912 -0.493 . . . . 0.0 110.448 176.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.1 tp -57.58 -50.43 73.14 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 122.864 0.466 . . . . 0.0 110.171 176.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.1 ttt -52.68 -50.0 64.15 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 122.881 0.473 . . . . 0.0 110.145 178.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -57.85 -53.47 57.9 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 122.648 0.379 . . . . 0.0 111.082 176.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -51.12 -47.54 61.95 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 123.816 0.846 . . . . 0.0 111.005 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.97 -58.55 6.4 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 176.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -68.74 -15.41 63.5 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -169.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 32.3 ptt-85 -18.12 -58.18 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 128.013 2.525 . . . . 0.0 116.284 -172.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -85.24 44.12 1.06 Allowed 'General case' 0 CA--C 1.535 0.401 0 O-C-N 120.916 -1.115 . . . . 0.0 110.061 -174.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 74.7 tttt 43.3 32.74 0.51 Allowed 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.588 1.555 . . . . 0.0 110.966 -168.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -84.0 72.3 10.46 Favored 'General case' 0 C--O 1.224 -0.26 0 O-C-N 121.379 -0.825 . . . . 0.0 110.389 -168.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -23.88 13.42 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.87 0.868 . . . . 0.0 112.357 171.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -103.8 103.75 13.66 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 105.443 -2.058 . . . . 0.0 105.443 167.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.9 t -91.27 131.53 38.15 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 -170.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -92.2 139.09 30.97 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 106.471 -1.678 . . . . 0.0 106.471 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -39.4 -35.64 0.29 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.351 1.861 . . . . 0.0 113.145 172.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -51.09 -39.13 55.37 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 120.677 -1.264 . . . . 0.0 112.743 172.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.03 -36.92 83.16 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 120.946 -1.097 . . . . 0.0 111.173 174.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -60.85 -44.5 96.92 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 173.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.4 mp -56.15 -47.2 80.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 O-C-N 121.801 -0.562 . . . . 0.0 110.703 170.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.7 m -56.25 -47.64 78.11 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -51.46 -52.32 47.39 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.595 1.158 . . . . 0.0 110.765 172.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.1 tp -56.5 -52.38 64.95 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -51.51 -55.52 19.53 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 178.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.23 -55.86 29.22 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.355 0.662 . . . . 0.0 111.142 -178.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -60.27 -39.48 87.0 Favored 'General case' 0 CA--C 1.527 0.077 0 C-N-CA 122.748 0.419 . . . . 0.0 111.075 -175.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.45 -55.54 15.19 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 121.818 -0.551 . . . . 0.0 110.38 174.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 16.4 tpt -54.8 -43.76 73.17 Favored 'General case' 0 CA--C 1.528 0.105 0 C-N-CA 124.239 1.016 . . . . 0.0 111.631 -172.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.4 tp -60.59 -25.09 33.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-O 119.403 -0.332 . . . . 0.0 111.491 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -77.91 53.47 1.16 Allowed 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.095 -1.003 . . . . 0.0 109.732 171.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -49.31 -47.79 46.76 Favored 'General case' 0 CA--C 1.527 0.066 0 C-N-CA 125.321 1.448 . . . . 0.0 111.532 -170.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -62.82 -41.92 99.51 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.364 0.666 . . . . 0.0 110.406 -178.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.79 -41.73 82.72 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.3 tt . . . . . 0 N--CA 1.453 -0.325 0 C-N-CA 123.072 0.549 . . . . 0.0 110.314 179.028 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 15.3 m . . . . . 0 CA--C 1.532 0.271 0 N-CA-C 106.601 -1.629 . . . . 0.0 106.601 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -38.76 -55.04 1.45 Allowed 'Trans proline' 0 N--CA 1.459 -0.552 1 C-N-CA 125.328 4.019 . . . . 0.0 115.354 -169.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -57.37 -42.32 81.88 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.862 -0.524 . . . . 0.0 112.297 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -71.3 -46.9 59.67 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 122.975 0.51 . . . . 0.0 109.734 -177.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -48.91 -49.11 41.58 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.297 0.639 . . . . 0.0 109.309 171.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.47 -57.25 8.72 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.75 0.42 . . . . 0.0 111.079 -174.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 13.2 tt -62.73 -39.52 85.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 120.728 -0.389 . . . . 0.0 109.992 -177.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.18 -53.18 46.68 Favored Glycine 0 CA--C 1.528 0.883 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 174.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -52.82 -54.83 28.66 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.899 0.879 . . . . 0.0 109.256 177.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 tt -53.91 -52.73 59.62 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.232 0.613 . . . . 0.0 110.796 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 60.9 mt -55.26 -52.74 42.35 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.233 0 C-N-CA 123.376 0.67 . . . . 0.0 109.878 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.96 -54.64 33.89 Favored Glycine 0 CA--C 1.529 0.932 0 N-CA-C 111.289 -0.724 . . . . 0.0 111.289 -178.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.6 mp -59.77 -43.56 91.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 O-C-N 122.088 -0.654 . . . . 0.0 110.084 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -60.02 -50.04 75.29 Favored 'General case' 0 N--CA 1.457 -0.097 0 CA-C-N 118.887 0.767 . . . . 0.0 110.946 177.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -52.17 -42.31 63.33 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.092 0.957 . . . . 0.0 109.974 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -70.5 -60.21 2.4 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -58.93 -38.16 78.34 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 125.022 1.329 . . . . 0.0 111.42 -169.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 10.8 t -72.56 58.77 0.43 Allowed 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.558 1.143 . . . . 0.0 109.547 171.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 44.42 44.45 8.02 Favored Glycine 0 CA--C 1.529 0.924 0 C-N-CA 125.628 1.585 . . . . 0.0 113.746 174.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 20.1 mtmm 54.44 31.1 14.0 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.972 0.909 . . . . 0.0 112.072 -178.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 64.59 -60.98 0.21 Allowed 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 128.104 2.562 . . . . 0.0 114.561 178.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -36.27 105.53 0.03 OUTLIER Glycine 0 CA--C 1.53 1.031 0 C-N-CA 125.14 1.352 . . . . 0.0 112.922 -171.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 23.8 t70 72.06 -55.38 0.67 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.865 1.666 . . . . 0.0 111.568 -174.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -74.58 56.56 0.69 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.546 0.738 . . . . 0.0 111.417 178.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -77.28 19.08 0.35 Allowed 'General case' 0 CA--C 1.539 0.544 0 O-C-N 120.823 -1.173 . . . . 0.0 112.147 -177.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 68.1 p -146.58 170.4 16.98 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 126.539 1.936 . . . . 0.0 106.424 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 10.9 mp -91.65 105.54 17.81 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 106.514 -1.661 . . . . 0.0 106.514 176.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 8.7 t -94.33 175.37 6.71 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.119 1.368 . . . . 0.0 110.595 173.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -26.82 -64.68 0.07 Allowed 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 128.127 2.571 . . . . 0.0 114.157 -171.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -58.88 -53.34 59.49 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 118.116 0.416 . . . . 0.0 110.071 -174.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -54.84 -46.06 74.57 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.506 0.722 . . . . 0.0 110.321 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.19 -57.9 9.77 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.245 0.618 . . . . 0.0 110.354 -178.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -53.92 -46.82 71.58 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 123.104 0.562 . . . . 0.0 110.352 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 52.0 tt0 -57.11 -47.96 79.79 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.508 0.723 . . . . 0.0 109.914 177.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 39.8 tp -60.59 -56.05 25.98 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -176.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 31.3 pt -60.08 -47.55 91.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.354 -174.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -64.67 -37.84 88.95 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 118.981 0.81 . . . . 0.0 111.051 -177.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? . . . . . 0 N--CA 1.455 -0.214 0 CA-C-N 118.159 0.436 . . . . 0.0 110.579 175.93 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 7.3 mp . . . . . 0 N--CA 1.454 -0.226 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -47.11 -59.42 3.15 Favored 'General case' 0 C--O 1.225 -0.215 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 177.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -53.21 -54.8 30.77 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.838 0.455 . . . . 0.0 111.163 178.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -58.02 -40.11 80.01 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.991 0.916 . . . . 0.0 112.643 -173.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -80.23 -43.32 21.62 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.655 0.662 . . . . 0.0 110.501 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -54.6 -59.71 4.34 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 124.455 1.102 . . . . 0.0 111.508 -178.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 70.66 -59.53 0.53 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.447 1.499 . . . . 0.0 109.972 -168.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -168.89 -39.88 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.36 1.464 . . . . 0.0 111.054 179.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 7.6 pttm -56.96 -34.46 68.08 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -170.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 16.2 t70 60.34 -70.2 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 127.784 2.434 . . . . 0.0 113.283 177.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.5 23.29 0.12 Allowed 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -168.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -147.09 97.82 2.94 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 125.025 1.33 . . . . 0.0 107.986 171.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 90.1 t -115.57 117.03 54.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 N-CA-C 106.198 -1.778 . . . . 0.0 106.198 168.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -90.45 159.63 16.45 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 123.215 0.606 . . . . 0.0 109.914 -169.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -43.78 -48.41 8.13 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.183 0.593 . . . . 0.0 112.255 174.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -51.44 -47.91 62.89 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 121.852 -0.53 . . . . 0.0 110.578 174.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -66.29 -33.15 75.09 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 123.044 0.538 . . . . 0.0 110.538 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -58.82 -47.89 83.23 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 118.829 0.74 . . . . 0.0 110.156 172.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -62.4 -44.92 99.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 C-N-CA 119.677 -0.809 . . . . 0.0 109.679 177.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 22.6 m -56.23 -37.52 69.83 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.836 -0.54 . . . . 0.0 111.312 174.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -62.07 -50.04 73.55 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 124.236 1.015 . . . . 0.0 109.524 176.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 5.8 tt -52.2 -52.21 53.6 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.376 0.67 . . . . 0.0 109.279 174.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.88 -59.91 7.57 Favored Glycine 0 CA--C 1.524 0.642 0 C-N-CA 124.044 0.83 . . . . 0.0 111.504 176.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.82 -41.41 67.33 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 125.088 1.355 . . . . 0.0 111.255 -178.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 51.2 tp -63.57 -55.61 22.47 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.55 -41.51 75.82 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 113.383 0.882 . . . . 0.0 113.383 -174.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 3.7 ppp? -57.24 -19.91 24.19 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -168.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 10.6 pt -61.56 -35.81 69.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-N 118.638 0.654 . . . . 0.0 110.304 174.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 63.44 165.99 0.13 Allowed 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 126.077 1.751 . . . . 0.0 113.243 -177.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 48.8 t30 60.81 -76.65 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 125.296 1.438 . . . . 0.0 109.979 -168.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -68.62 166.43 17.21 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 168.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 69.23 -60.75 0.45 Allowed 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 125.812 1.645 . . . . 0.0 109.918 -169.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 9.7 mp . . . . . 0 CA--C 1.534 0.357 0 C-N-CA 123.99 0.916 . . . . 0.0 109.253 170.76 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.0 p . . . . . 0 CA--C 1.538 0.492 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -49.6 -42.87 41.58 Favored 'Trans proline' 0 N--CA 1.457 -0.673 0 C-N-CA 122.432 2.088 . . . . 0.0 111.8 169.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.9 tt -60.94 -51.72 68.07 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 122.826 0.45 . . . . 0.0 110.162 176.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -58.53 -46.35 86.98 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 120.693 0.283 . . . . 0.0 111.088 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -52.73 -48.28 66.78 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 122.937 0.495 . . . . 0.0 110.002 172.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.03 -51.95 64.78 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 122.307 0.243 . . . . 0.0 110.807 -173.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.2 pt -61.66 -39.66 84.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.02 177.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.03 -54.93 23.68 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.46 -0.656 . . . . 0.0 111.46 174.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.5 mp -56.26 -51.52 67.85 Favored 'General case' 0 N--CA 1.454 -0.228 0 O-C-N 122.221 -0.576 . . . . 0.0 109.861 175.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 69.3 tp -52.61 -55.17 24.27 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 118.295 0.498 . . . . 0.0 112.112 -178.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.1 pt -60.34 -41.17 86.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-O 119.005 -0.522 . . . . 0.0 109.772 -178.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -52.95 -54.51 28.35 Favored Glycine 0 CA--C 1.533 1.163 0 N-CA-C 111.61 -0.596 . . . . 0.0 111.61 171.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.5 mp -53.25 -50.45 46.89 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 C-N-CA 124.194 0.997 . . . . 0.0 110.06 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -57.24 -50.47 72.79 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.437 0.637 . . . . 0.0 110.423 177.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -56.21 -31.42 63.47 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 123.999 0.92 . . . . 0.0 111.751 -177.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -48.93 -49.08 41.92 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 119.381 0.992 . . . . 0.0 110.379 173.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -76.75 -63.45 1.35 Allowed 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.517 -0.919 . . . . 0.0 108.517 -177.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.0 m -55.34 -39.38 69.94 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.45 0.7 . . . . 0.0 112.539 -172.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -47.75 -44.18 23.51 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 124.29 0.948 . . . . 0.0 112.031 177.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -62.93 -23.38 67.35 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 118.014 0.907 . . . . 0.0 112.431 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -103.41 7.39 38.04 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.072 0.949 . . . . 0.0 110.985 175.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.99 115.94 0.09 OUTLIER Glycine 0 CA--C 1.529 0.933 0 N-CA-C 107.76 -2.136 . . . . 0.0 107.76 -168.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -77.18 61.46 2.09 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 118.344 1.072 . . . . 0.0 112.589 -172.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.3 pttm -78.98 51.36 1.12 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.072 1.349 . . . . 0.0 108.875 169.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 46.08 46.92 12.98 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 126.281 1.832 . . . . 0.0 112.726 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.2 t -147.09 164.59 32.57 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 121.715 -0.616 . . . . 0.0 109.673 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.7 tt -142.46 118.75 10.82 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 104.46 -2.422 . . . . 0.0 104.46 172.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.8 t -116.86 168.97 9.75 Favored 'General case' 0 N--CA 1.462 0.126 0 C-N-CA 123.962 0.905 . . . . 0.0 111.43 -169.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.7 tttp -21.56 -60.96 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 129.465 3.106 . . . . 0.0 114.007 -175.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -52.55 -60.89 2.69 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.106 0.962 . . . . 0.0 110.316 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -67.0 -27.92 67.83 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 119.095 -0.478 . . . . 0.0 111.453 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.53 -53.75 53.71 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 174.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -55.34 -52.82 62.26 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 123.451 0.7 . . . . 0.0 110.139 177.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -53.82 -49.65 67.92 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 110.585 -0.154 . . . . 0.0 110.585 177.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.9 tp -53.95 -59.83 4.12 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 118.294 -0.86 . . . . 0.0 109.595 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 38.6 pt -58.04 -43.64 85.52 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 CA-C-N 119.387 0.994 . . . . 0.0 110.73 -176.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.2 tp60 -58.84 -48.86 79.86 Favored 'General case' 0 N--CA 1.453 -0.307 0 O-C-N 122.17 -0.331 . . . . 0.0 111.39 -178.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -76.26 -35.09 59.11 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.583 0.353 . . . . 0.0 110.905 -176.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 . . . . . 0 CA--C 1.532 0.259 0 C-N-CA 124.535 1.134 . . . . 0.0 110.645 172.319 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 . . . . . 0 CA--C 1.536 0.415 0 CA-C-O 119.117 -0.468 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.4 mp -62.51 -44.71 99.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-N 119.538 1.063 . . . . 0.0 109.703 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 42.2 t -58.49 -46.09 89.84 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 C-N-CA 123.712 0.805 . . . . 0.0 109.846 176.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -56.61 -45.48 81.46 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 122.118 -0.363 . . . . 0.0 110.488 175.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 31.0 tp -58.63 -50.62 73.16 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.247 0.476 . . . . 0.0 110.135 177.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.6 mmm -49.15 -56.42 9.26 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.282 0.633 . . . . 0.0 110.206 174.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -57.67 -43.49 85.06 Favored 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 123.418 0.687 . . . . 0.0 111.049 -178.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -60.96 -50.13 74.65 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.526 0.603 . . . . 0.0 111.102 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.98 -45.72 76.81 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.367 0.267 . . . . 0.0 111.071 -178.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -66.62 -56.89 8.61 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 123.563 0.745 . . . . 0.0 110.78 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . 0.324 24.0 ptt-85 54.23 -57.89 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 129.891 3.276 . . . . 0.0 115.858 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -61.16 -58.22 9.24 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 119.094 0.861 . . . . 0.0 110.343 177.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? 73.07 -44.81 0.6 Allowed 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 125.229 1.412 . . . . 0.0 113.639 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -68.13 74.8 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 124.35 1.06 . . . . 0.0 109.125 171.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -169.86 179.95 3.47 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 122.578 1.18 . . . . 0.0 111.269 -169.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -112.73 129.27 56.47 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 103.01 -2.959 . . . . 0.0 103.01 167.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 62.2 t -106.76 135.28 45.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 105.543 -2.021 . . . . 0.0 105.543 172.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -91.73 151.97 20.39 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 119.1 0.864 . . . . 0.0 109.166 -177.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -42.13 -44.05 3.52 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.919 1.288 . . . . 0.0 113.0 177.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -64.64 -32.82 74.66 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.576 1.08 . . . . 0.0 111.406 -179.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -69.09 -44.83 71.71 Favored 'General case' 0 C--N 1.339 0.118 0 O-C-N 120.862 -1.149 . . . . 0.0 110.004 173.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -50.72 -48.93 58.72 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 121.144 0.497 . . . . 0.0 110.037 174.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 12.0 mm -59.56 -53.8 43.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 124.341 1.056 . . . . 0.0 111.304 177.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 64.9 m -53.55 -44.7 69.46 Favored 'General case' 0 C--O 1.237 0.438 0 O-C-N 121.753 -0.592 . . . . 0.0 110.032 179.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -61.7 -43.45 98.83 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.813 1.245 . . . . 0.0 110.855 175.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.22 -46.16 68.98 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 174.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.71 -59.44 10.25 Favored Glycine 0 CA--C 1.529 0.918 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 174.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.17 -49.45 66.62 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 122.865 0.466 . . . . 0.0 111.648 -177.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 24.5 tp -52.72 -63.65 1.07 Allowed 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 125.774 1.63 . . . . 0.0 109.786 174.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.9 -32.7 67.98 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 123.539 0.735 . . . . 0.0 111.725 -174.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 12.0 tpt -59.05 -14.07 8.59 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.862 -0.524 . . . . 0.0 112.381 176.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 14.7 tt -49.48 -31.68 5.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-N 119.456 1.025 . . . . 0.0 111.306 169.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -75.41 57.19 0.9 Allowed 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.519 -0.738 . . . . 0.0 110.681 172.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.36 24.27 0.14 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.921 1.288 . . . . 0.0 113.407 -172.308 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.84 -39.73 1.94 Allowed 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 126.709 2.004 . . . . 0.0 109.289 177.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.03 -44.5 80.09 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 167.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.0 mp . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 104.71 -2.33 . . . . 0.0 104.71 168.189 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.537 0.454 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -57.94 -43.21 50.74 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 122.359 2.039 . . . . 0.0 111.951 176.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 10.0 tt -62.86 -50.06 72.4 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 178.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -55.71 -47.0 77.6 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 122.144 -0.347 . . . . 0.0 111.357 177.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.86 -40.52 76.28 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 122.947 0.499 . . . . 0.0 110.192 175.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.17 -48.71 77.24 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 119.254 -0.403 . . . . 0.0 110.066 178.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 50.3 mm -51.83 -55.83 8.01 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 174.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.73 -51.93 26.85 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 124.101 0.857 . . . . 0.0 111.487 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 53.9 tp -60.47 -49.37 77.84 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 122.323 -0.516 . . . . 0.0 110.426 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 30.9 mt -58.07 -52.02 67.27 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 123.096 0.558 . . . . 0.0 111.406 -178.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 27.1 pt -59.67 -40.85 83.38 Favored 'Isoleucine or valine' 0 C--N 1.34 0.18 0 C-N-CA 119.885 -0.726 . . . . 0.0 109.576 176.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -48.5 -56.9 8.86 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 123.618 0.628 . . . . 0.0 111.746 172.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.6 mp -56.38 -54.62 25.94 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 C-N-CA 123.655 0.782 . . . . 0.0 109.568 178.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . 0.462 ' CE1' HD13 ' B' ' 29' ' ' LEU . 58.2 t80 -54.5 -41.85 70.08 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.015 0.436 . . . . 0.0 110.657 -177.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -69.81 -14.5 62.79 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.091 1.356 . . . . 0.0 112.744 -177.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -61.18 -59.77 4.81 Favored 'General case' 0 C--N 1.342 0.279 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 169.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -65.79 -63.48 1.08 Allowed 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.7 m -75.48 65.63 1.76 Allowed 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 123.32 0.648 . . . . 0.0 109.938 176.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 158.4 -65.75 0.29 Allowed Glycine 0 C--N 1.333 0.414 0 CA-C-N 118.275 0.489 . . . . 0.0 113.768 169.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm -71.42 -38.67 71.37 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 117.57 0.685 . . . . 0.0 110.545 -174.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -97.17 -49.26 5.04 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.367 1.067 . . . . 0.0 110.202 -175.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -129.2 -171.72 13.02 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -62.97 139.63 58.78 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.154 0.982 . . . . 0.0 111.092 -169.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 44.8 pttt -77.99 59.35 2.14 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 -173.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -131.29 -79.8 0.52 Allowed 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.404 1.081 . . . . 0.0 110.726 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 17.8 p -144.99 169.89 17.22 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 124.598 1.159 . . . . 0.0 108.873 -167.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.462 HD13 ' CE1' ' B' ' 16' ' ' PHE . 4.2 mp -88.34 73.87 8.75 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 105.168 -2.16 . . . . 0.0 105.168 -176.178 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.73 171.34 8.94 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 126.75 2.02 . . . . 0.0 107.763 -175.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 57.2 mttm -33.26 -55.68 0.41 Allowed 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 -170.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -56.32 -54.77 41.51 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.29 0.567 . . . . 0.0 111.157 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 23.0 mp0 -62.19 -42.31 99.17 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.826 0.85 . . . . 0.0 109.516 -177.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.11 -51.17 68.99 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 123.291 0.636 . . . . 0.0 109.949 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -57.59 -45.86 84.75 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 121.844 -0.535 . . . . 0.0 110.399 177.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -53.37 -53.8 45.84 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 120.609 0.243 . . . . 0.0 110.348 173.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.5 tt -54.23 -50.96 65.96 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.423 0.689 . . . . 0.0 110.613 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 85.3 mt -52.66 -51.55 34.31 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.13 0 C-N-CA 123.455 0.702 . . . . 0.0 109.574 176.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -58.63 -49.43 77.52 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.286 0.494 . . . . 0.0 111.025 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp . . . . . 0 CA--C 1.533 0.324 0 CA-C-N 118.397 0.544 . . . . 0.0 111.37 -179.737 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 7.8 tt . . . . . 0 C--O 1.234 0.283 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -62.48 -36.85 83.79 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -177.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -67.76 -48.09 67.37 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 118.082 0.401 . . . . 0.0 110.265 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -56.22 -37.35 69.57 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.728 0.811 . . . . 0.0 110.738 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 23.0 tp -68.71 -70.45 0.27 Allowed 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.308 0.575 . . . . 0.0 109.743 169.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -84.11 62.98 7.41 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.246 0.619 . . . . 0.0 110.29 -170.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 37.9 mtp85 -54.63 -40.02 68.52 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.532 0.733 . . . . 0.0 111.137 -174.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -79.64 -4.63 52.54 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.714 0.806 . . . . 0.0 112.673 -177.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt 69.96 3.89 4.54 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.519 1.528 . . . . 0.0 113.687 -177.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -165.52 137.59 4.12 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 104.981 -2.229 . . . . 0.0 104.981 168.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -162.59 165.5 25.83 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 119.04 0.836 . . . . 0.0 108.788 -170.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -119.08 95.24 4.73 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 106.283 -1.747 . . . . 0.0 106.283 168.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 94.3 t -92.79 114.73 30.15 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 -169.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -89.97 158.79 17.22 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 173.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -50.1 -41.42 48.34 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.308 1.043 . . . . 0.0 112.45 -170.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -64.11 -36.52 84.31 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.603 -0.685 . . . . 0.0 111.939 176.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -67.51 -45.99 74.2 Favored 'General case' 0 C--N 1.339 0.128 0 CA-C-N 119.857 1.208 . . . . 0.0 109.641 175.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -50.2 -49.91 51.09 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 120.908 0.385 . . . . 0.0 110.185 174.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.37 -46.78 89.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 O-C-N 121.94 -0.475 . . . . 0.0 110.617 -178.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 72.2 m -56.19 -43.89 78.9 Favored 'General case' 0 C--O 1.236 0.359 0 O-C-N 121.216 -0.927 . . . . 0.0 109.889 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -56.47 -44.44 80.57 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.412 1.085 . . . . 0.0 110.938 170.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.61 -48.45 69.27 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 175.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.24 -54.85 27.31 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.659 -0.576 . . . . 0.0 111.659 175.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.84 -52.26 63.32 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 117.547 0.674 . . . . 0.0 111.177 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 38.8 tp -53.86 -55.21 28.8 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.752 1.621 . . . . 0.0 110.326 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.43 -42.44 87.32 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.636 178.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 48.1 ttm -62.9 -46.2 88.94 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.927 -0.483 . . . . 0.0 111.419 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 20.9 tt -65.36 -34.67 72.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 118.667 0.667 . . . . 0.0 110.551 175.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 19.7 m-30 -74.65 59.58 0.86 Allowed 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 122.557 1.17 . . . . 0.0 109.357 168.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -65.21 -47.58 76.38 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.362 -169.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 45.6 mp0 -76.22 53.9 0.85 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.576 1.55 . . . . 0.0 110.034 176.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -170.28 -49.53 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 127.301 2.24 . . . . 0.0 106.51 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 31.7 tp . . . . . 0 CA--C 1.532 0.264 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 168.978 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 CA--C 1.537 0.468 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -55.22 -41.16 81.18 Favored 'Trans proline' 0 CA--C 1.537 0.654 0 C-N-CA 121.834 1.689 . . . . 0.0 113.517 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.79 -53.32 48.86 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -64.44 -32.26 73.81 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 120.514 -0.474 . . . . 0.0 111.751 -178.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -63.63 -42.72 98.14 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.224 0.61 . . . . 0.0 110.317 171.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.9 -47.47 83.14 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 118.685 0.675 . . . . 0.0 110.504 178.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 93.5 mt -55.38 -47.36 78.21 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 172.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.66 -49.43 16.34 Favored Glycine 0 CA--C 1.528 0.869 0 C-N-CA 125.516 1.531 . . . . 0.0 111.563 172.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.3 tp -63.34 -46.45 86.52 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 121.961 -0.729 . . . . 0.0 110.375 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 70.2 mt -56.23 -56.09 25.24 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 118.128 0.422 . . . . 0.0 111.275 175.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.3 pp -64.11 -30.94 51.41 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.261 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.339 -178.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.13 -56.13 22.28 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 124.416 1.007 . . . . 0.0 111.62 176.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -60.7 -42.45 92.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-N 117.978 0.889 . . . . 0.0 108.839 179.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -54.57 -45.81 73.59 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.619 -0.676 . . . . 0.0 110.128 172.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -53.46 -36.78 61.99 Favored 'General case' 0 N--CA 1.456 -0.145 0 O-C-N 121.179 -0.95 . . . . 0.0 112.105 -175.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -52.54 -41.25 63.34 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 122.448 0.299 . . . . 0.0 110.606 178.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -79.05 -51.44 9.57 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 176.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -48.29 -38.77 19.68 Favored 'General case' 0 C--O 1.226 -0.175 0 C-N-CA 124.32 1.048 . . . . 0.0 112.601 -175.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -45.44 -37.55 6.49 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.605 1.098 . . . . 0.0 112.886 177.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -60.6 -20.92 61.94 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 118.205 1.003 . . . . 0.0 112.279 179.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -128.24 37.75 4.1 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.483 1.913 . . . . 0.0 109.393 170.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 49.64 -105.81 0.18 Allowed Glycine 0 CA--C 1.53 0.999 0 C-N-CA 125.378 1.466 . . . . 0.0 113.123 178.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -90.17 -9.23 48.95 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.371 0.668 . . . . 0.0 112.075 -174.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.4 mtmt -73.66 81.84 1.54 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 119.14 0.882 . . . . 0.0 109.374 177.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.4 m80 -73.59 72.48 1.43 Allowed 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 169.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.9 p -125.3 160.54 29.04 Favored 'General case' 0 N--CA 1.437 -1.08 0 C-N-CA 127.247 2.219 . . . . 0.0 105.584 175.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.4 mp -93.83 80.36 4.19 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 105.717 -1.956 . . . . 0.0 105.717 171.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.0 m -91.39 162.0 14.77 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 175.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -46.57 -42.49 16.04 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.883 0.873 . . . . 0.0 112.623 -169.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -57.3 -45.62 84.0 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.897 0.879 . . . . 0.0 111.607 175.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -68.6 -41.16 79.99 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 118.609 -0.71 . . . . 0.0 110.495 177.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.2 mp -53.35 -55.44 24.87 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 118.983 0.81 . . . . 0.0 109.245 173.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.7 tmmm? -51.17 -54.82 21.79 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.611 0.764 . . . . 0.0 109.565 179.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -61.93 -42.36 99.01 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 122.314 -0.241 . . . . 0.0 111.603 -176.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.3 tp -59.62 -54.1 50.4 Favored 'General case' 0 N--CA 1.456 -0.154 0 O-C-N 121.789 -0.569 . . . . 0.0 109.838 177.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 81.8 mt -56.0 -50.04 71.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -52.62 -54.05 38.56 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.376 1.07 . . . . 0.0 111.067 177.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -69.45 -44.77 70.59 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 122.839 0.456 . . . . 0.0 111.425 -173.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 . . . . . 0 CA--C 1.536 0.421 0 CA-C-O 121.024 0.44 . . . . 0.0 109.85 174.839 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 . . . . . 0 N--CA 1.451 -0.407 0 CA-C-O 118.717 -0.659 . . . . 0.0 110.15 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 69.5 mt -60.61 -47.83 91.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-N 119.263 0.938 . . . . 0.0 109.597 176.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.8 t -57.05 -51.77 64.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 123.649 0.78 . . . . 0.0 109.675 176.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -55.6 -46.5 77.3 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.113 0.415 . . . . 0.0 110.954 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 56.8 tp -56.72 -56.86 16.12 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 123.956 0.903 . . . . 0.0 109.749 177.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 16.1 tpt -54.53 -50.36 68.07 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 122.305 0.242 . . . . 0.0 110.384 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -52.89 -54.89 28.08 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.722 0.809 . . . . 0.0 110.047 178.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -53.5 -61.31 2.38 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.345 0.658 . . . . 0.0 110.474 178.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 85.1 mt -49.65 -46.22 49.39 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.166 0.586 . . . . 0.0 110.499 -178.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -56.39 -23.39 37.62 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 -175.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -58.77 -29.09 66.52 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 120.197 1.362 . . . . 0.0 111.536 175.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -66.0 -29.3 69.66 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.027 0.531 . . . . 0.0 111.89 173.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.9 ttpp 94.29 118.37 0.02 OUTLIER 'General case' 0 C--O 1.234 0.286 0 C-N-CA 129.197 2.999 . . . . 0.0 104.741 -166.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -76.2 55.9 0.99 Allowed 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.819 1.248 . . . . 0.0 112.807 -169.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -111.66 -76.13 0.6 Allowed 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.472 1.109 . . . . 0.0 108.545 172.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -115.89 94.2 4.57 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 125.803 1.641 . . . . 0.0 107.755 175.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.9 t -94.41 138.72 19.98 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.107 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 177.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -91.57 155.43 18.38 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.643 -0.661 . . . . 0.0 111.458 -168.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -42.04 -45.81 4.01 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 126.006 1.722 . . . . 0.0 111.061 173.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -52.25 -38.79 59.14 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 119.331 -0.366 . . . . 0.0 110.903 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -68.25 -43.94 76.76 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 119.181 0.901 . . . . 0.0 110.301 -178.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -51.99 -55.93 17.41 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 173.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.1 tp -70.16 -36.21 66.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 119.818 -0.753 . . . . 0.0 111.493 -174.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 86.6 m -62.31 -39.46 93.1 Favored 'General case' 0 C--O 1.226 -0.169 0 O-C-N 121.128 -0.983 . . . . 0.0 109.001 176.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -61.51 -39.67 91.85 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 118.16 0.436 . . . . 0.0 110.598 171.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 tt -55.33 -49.84 71.17 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 174.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -49.74 -55.62 13.76 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 123.989 0.804 . . . . 0.0 112.132 172.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.81 -42.23 83.81 Favored 'General case' 0 N--CA 1.457 -0.1 0 C-N-CA 124.546 1.138 . . . . 0.0 111.68 -177.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 53.4 tp -67.87 -53.41 26.94 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 177.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.17 -47.75 71.67 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.233 1.013 . . . . 0.0 112.028 -177.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -8.61 4.39 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 -169.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.2 pp -57.81 -38.73 67.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-N 119.154 0.888 . . . . 0.0 109.672 168.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 61.19 -58.52 0.1 Allowed 'General case' 0 C--N 1.343 0.312 0 C-N-CA 127.956 2.502 . . . . 0.0 115.65 174.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -9.97 103.39 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 128.779 2.831 . . . . 0.0 113.781 178.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 72.41 -43.24 0.56 Allowed 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 126.002 1.721 . . . . 0.0 113.297 173.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.77 -52.71 59.36 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.998 0.817 . . . . 0.0 109.549 173.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.5 tp . . . . . 0 CA--C 1.54 0.583 0 C-N-CA 123.835 0.854 . . . . 0.0 110.34 173.718 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 30.7 t . . . . . 0 N--CA 1.449 -0.519 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -50.18 -27.39 17.27 Favored 'Trans proline' 0 N--CA 1.451 -1.023 0 C-N-CA 122.471 2.114 . . . . 0.0 111.57 167.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 39.6 tp -59.2 -54.37 47.67 Favored 'General case' 0 C--N 1.342 0.258 0 CA-C-N 118.536 0.607 . . . . 0.0 110.428 173.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -67.02 -35.78 80.67 Favored 'General case' 0 C--O 1.23 0.074 0 O-C-N 121.569 -0.707 . . . . 0.0 110.689 -178.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -55.54 -48.05 75.35 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 171.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.93 -47.48 86.24 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.343 0.657 . . . . 0.0 110.244 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 96.4 mt -56.83 -49.31 79.15 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.78 -53.43 36.34 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 176.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 57.4 tp -52.52 -52.33 55.16 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.335 0.654 . . . . 0.0 110.22 177.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 35.3 mt -58.01 -49.27 77.42 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 124.008 0.923 . . . . 0.0 111.077 -178.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 10.7 mm -52.16 -57.2 4.15 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 175.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.88 -59.48 10.52 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.671 -0.571 . . . . 0.0 111.671 -177.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 14.6 tt -64.23 -35.55 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 O-C-N 121.758 -0.848 . . . . 0.0 110.817 -175.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -64.62 -45.97 84.58 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 118.955 0.798 . . . . 0.0 110.169 177.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -54.8 -46.82 74.53 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 118.429 0.559 . . . . 0.0 110.17 173.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -63.41 -50.87 68.13 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 121.466 0.65 . . . . 0.0 109.801 -174.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -54.36 -48.34 71.58 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 125.821 1.648 . . . . 0.0 109.77 176.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 10.9 m -73.14 8.94 1.38 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.056 0.943 . . . . 0.0 113.462 174.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.22 -33.54 52.31 Favored Glycine 0 CA--C 1.529 0.947 0 CA-C-N 120.105 1.32 . . . . 0.0 113.036 -173.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -37.42 63.64 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.997 0.919 . . . . 0.0 110.896 173.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -101.79 25.58 8.43 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.527 1.531 . . . . 0.0 110.51 174.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 55.09 -111.59 2.35 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 124.333 0.968 . . . . 0.0 111.709 -175.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -114.13 14.71 18.3 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.009 1.323 . . . . 0.0 110.937 177.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -66.14 125.59 26.01 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 173.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -76.33 53.31 0.82 Allowed 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.937 0.718 . . . . 0.0 112.937 -169.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 9.8 t -146.51 142.76 28.39 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 123.877 0.871 . . . . 0.0 109.021 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 44.0 mt -94.92 128.41 41.68 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 171.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 23.2 t -91.57 170.25 10.09 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 178.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -50.12 -41.44 48.65 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.229 0.611 . . . . 0.0 109.371 174.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -44.08 -51.69 7.74 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.727 1.611 . . . . 0.0 111.163 172.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -65.1 -49.16 71.08 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.232 0.613 . . . . 0.0 109.512 -175.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.88 -49.74 76.65 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 117.929 0.332 . . . . 0.0 110.11 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -54.76 -51.39 65.84 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.218 0.207 . . . . 0.0 110.571 176.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -57.08 -45.1 83.58 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 122.233 -0.292 . . . . 0.0 111.631 177.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 44.8 tp -58.92 -50.42 74.09 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 118.766 0.712 . . . . 0.0 109.82 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 81.0 mt -57.06 -48.41 81.94 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 178.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -55.02 -54.43 43.12 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.904 0.881 . . . . 0.0 110.956 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt . . . . . 0 CA--C 1.53 0.186 0 C-N-CA 123.348 0.659 . . . . 0.0 110.814 -178.865 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 23.4 tp . . . . . 0 CA--C 1.53 0.202 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -53.28 -53.92 43.83 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.913 0.885 . . . . 0.0 109.734 175.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -53.87 -50.86 65.35 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.368 0.667 . . . . 0.0 110.974 178.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -57.09 -41.44 78.86 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.255 0.622 . . . . 0.0 111.531 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 tt -66.99 -63.71 1.0 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 121.401 0.62 . . . . 0.0 109.761 176.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -74.36 67.18 1.4 Allowed 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 125.823 1.649 . . . . 0.0 110.459 -178.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.07 -50.0 70.26 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 173.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -74.87 61.92 1.06 Allowed 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.621 -0.674 . . . . 0.0 110.663 169.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 39.9 pttt -72.45 68.84 0.81 Allowed 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.152 0.981 . . . . 0.0 109.505 174.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -148.35 -56.05 0.21 Allowed 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.967 1.307 . . . . 0.0 109.352 -176.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -123.34 -91.32 0.55 Allowed 'General case' 0 N--CA 1.457 -0.098 0 C-N-CA 123.573 0.749 . . . . 0.0 110.558 -178.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -132.9 145.08 50.61 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 126.392 1.877 . . . . 0.0 106.158 -175.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 8.2 p -95.51 135.01 30.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 -177.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -92.2 152.16 20.0 Favored 'General case' 0 C--N 1.333 -0.119 0 O-C-N 121.795 -0.565 . . . . 0.0 110.191 -170.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -47.42 -42.77 22.88 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.319 0.648 . . . . 0.0 111.899 174.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 16.7 tp60 -59.05 -37.76 77.77 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.18 -0.95 . . . . 0.0 110.996 177.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -68.04 -40.53 82.84 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 118.86 -0.59 . . . . 0.0 109.688 174.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -56.71 -48.41 77.76 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.691 0.678 . . . . 0.0 109.858 176.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 22.0 mm -56.19 -53.46 39.12 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 123.112 0.565 . . . . 0.0 110.49 175.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 23.8 m -56.36 -46.89 79.81 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.999 -0.438 . . . . 0.0 110.564 -178.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -53.14 -48.99 67.47 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.563 1.145 . . . . 0.0 110.517 173.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 3.1 tt -57.42 -47.7 81.05 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 -178.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -51.02 -60.86 6.66 Favored Glycine 0 C--O 1.223 -0.558 0 CA-C-O 119.328 -0.706 . . . . 0.0 111.983 173.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.21 -51.75 66.94 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.119 0.96 . . . . 0.0 111.425 -177.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -52.52 -50.93 61.85 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 125.256 1.422 . . . . 0.0 109.77 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.08 -49.68 66.75 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 121.952 -0.468 . . . . 0.0 111.612 178.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 28.0 ttt -49.22 -39.13 28.77 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.991 1.717 . . . . 0.0 113.678 -172.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 17.9 pt -63.82 -18.73 22.96 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 119.06 0.845 . . . . 0.0 112.61 178.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 58.02 -137.29 0.91 Allowed 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 125.646 1.578 . . . . 0.0 110.655 178.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . 0.276 4.5 p30 41.25 -124.62 0.53 Allowed 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.898 1.279 . . . . 0.0 111.469 -177.008 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -48.83 -34.33 12.27 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 119.676 1.126 . . . . 0.0 113.044 -178.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.36 -32.63 68.74 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 118.49 0.586 . . . . 0.0 111.55 -175.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 25.8 mt . . . . . 0 CA--C 1.531 0.234 0 CA-C-O 119.618 -0.229 . . . . 0.0 111.609 -179.37 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.415 0 CA-C-O 118.223 -0.894 . . . . 0.0 109.187 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -33.39 -62.56 0.17 Allowed 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 124.883 3.722 . . . . 0.0 116.498 -169.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -57.84 -40.74 80.79 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.389 -0.819 . . . . 0.0 112.436 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -68.04 -42.9 79.84 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 121.93 -0.481 . . . . 0.0 109.928 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -56.85 -43.44 81.13 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 122.824 0.449 . . . . 0.0 109.964 173.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.31 -52.58 64.11 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 122.761 0.425 . . . . 0.0 110.224 -178.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.7 mt -50.03 -55.18 5.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 N-CA-C 108.706 -0.849 . . . . 0.0 108.706 172.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.97 -51.97 10.39 Favored Glycine 0 CA--C 1.524 0.639 0 C-N-CA 125.921 1.724 . . . . 0.0 112.212 178.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 30.3 mt -63.9 -49.59 72.08 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 117.838 0.819 . . . . 0.0 110.338 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mp -55.5 -52.98 61.86 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 119.449 -0.31 . . . . 0.0 111.336 -178.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.8 pt -67.32 -40.3 84.54 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 177.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -43.18 -56.89 4.45 Favored Glycine 0 C--N 1.335 0.502 0 C-N-CA 125.733 1.635 . . . . 0.0 110.884 176.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.1 tt -74.85 -53.17 17.16 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 117.921 0.86 . . . . 0.0 111.52 175.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -54.51 -45.48 73.33 Favored 'General case' 0 C--N 1.34 0.176 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -168.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -61.77 -31.86 72.09 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -173.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -57.25 -41.98 80.63 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-O 121.547 0.689 . . . . 0.0 109.457 -178.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -81.13 -65.6 0.99 Allowed 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.222 175.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 84.1 p -63.33 -23.11 67.27 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 -168.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -51.7 -32.33 32.31 Favored Glycine 0 CA--C 1.529 0.924 0 C-N-CA 123.879 0.752 . . . . 0.0 111.767 173.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -54.37 -30.9 53.41 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 117.513 0.656 . . . . 0.0 111.322 174.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -123.57 48.32 1.88 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.539 1.536 . . . . 0.0 108.515 170.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.81 66.38 0.83 Allowed Glycine 0 CA--C 1.527 0.831 0 C-N-CA 126.164 1.84 . . . . 0.0 111.807 -175.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -167.7 -59.62 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 127.908 2.483 . . . . 0.0 105.298 -177.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -63.62 -40.62 97.34 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.791 169.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 77.7 m80 58.94 61.43 2.15 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 122.372 1.082 . . . . 0.0 109.962 -177.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.6 p -131.03 170.25 14.75 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 106.123 -1.806 . . . . 0.0 106.123 176.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.5 tt -125.64 116.48 21.77 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.4 m -97.49 164.95 12.23 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.148 0.979 . . . . 0.0 112.285 -169.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -44.97 -47.77 11.42 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 125.34 1.456 . . . . 0.0 113.319 -170.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -55.3 -59.73 4.39 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.114 0.566 . . . . 0.0 109.831 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -50.46 -47.48 56.95 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.039 0.535 . . . . 0.0 110.321 176.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 48.8 tp -57.68 -55.67 31.88 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 119.319 -0.372 . . . . 0.0 110.875 -178.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.26 -40.38 90.16 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 119.123 0.874 . . . . 0.0 111.034 -178.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.6 -51.25 70.26 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.595 -0.691 . . . . 0.0 110.434 175.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 61.6 tp -54.28 -54.86 34.42 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.143 0.577 . . . . 0.0 110.138 176.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 59.6 mt -51.32 -53.07 16.87 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 C-N-CA 123.51 0.724 . . . . 0.0 109.997 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -52.74 -55.02 25.76 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 119.444 -0.312 . . . . 0.0 110.752 178.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -30.2 67.56 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -175.287 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 . . . . . 0 CA--C 1.533 0.3 0 CA-C-N 119.027 0.831 . . . . 0.0 110.566 169.923 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 . . . . . 0 CA--C 1.533 0.316 0 CA-C-O 118.827 -0.606 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 78.3 mt -56.31 -55.44 18.88 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 119.283 0.947 . . . . 0.0 110.536 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.2 m -63.78 -38.77 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-O 118.977 -0.535 . . . . 0.0 110.934 -177.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -56.49 -48.49 77.05 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 118.774 0.716 . . . . 0.0 109.87 173.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.4 tt -58.21 -54.25 49.1 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 67.2 mtm -56.24 -47.03 79.29 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 122.08 -0.387 . . . . 0.0 111.25 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -56.37 -53.15 60.71 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.505 0.722 . . . . 0.0 110.415 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -56.53 -50.18 72.61 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 121.047 0.451 . . . . 0.0 110.752 177.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 45.3 tp -55.93 -42.09 75.61 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.001 0.921 . . . . 0.0 110.731 -178.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -65.72 -55.51 16.97 Favored 'General case' 0 N--CA 1.456 -0.168 0 O-C-N 122.114 -0.366 . . . . 0.0 110.039 173.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.4 -38.15 18.81 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 125.096 1.359 . . . . 0.0 111.405 -177.291 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -47.76 -37.72 13.98 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.517 0.727 . . . . 0.0 111.812 176.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.34 44.28 2.98 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.236 1.414 . . . . 0.0 109.112 173.083 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -23.44 82.35 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 128.222 2.609 . . . . 0.0 115.592 -168.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.0 -60.14 0.01 OUTLIER 'General case' 0 C--N 1.339 0.11 0 C-N-CA 123.443 0.697 . . . . 0.0 111.123 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -145.93 170.23 17.02 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.922 1.289 . . . . 0.0 110.094 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 30.5 m -119.93 139.89 45.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 106.442 -1.688 . . . . 0.0 106.442 165.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -92.48 151.06 20.4 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -177.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -46.6 -44.13 17.89 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 177.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -59.12 -38.78 80.41 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 120.856 -1.153 . . . . 0.0 110.614 177.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -64.5 -47.47 78.79 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 176.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -49.7 -49.94 45.73 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.709 0.804 . . . . 0.0 110.349 173.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 16.4 mm -57.01 -53.82 38.07 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 O-C-N 121.589 -0.694 . . . . 0.0 111.146 176.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.1 p -63.29 -25.36 68.28 Favored 'General case' 0 C--O 1.223 -0.31 0 O-C-N 120.894 -1.129 . . . . 0.0 111.782 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.54 -45.61 82.72 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.116 0.966 . . . . 0.0 109.856 172.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.4 tp -54.09 -48.51 70.6 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 170.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -46.31 -60.0 4.9 Favored Glycine 0 CA--C 1.532 1.106 0 N-CA-C 111.757 -0.537 . . . . 0.0 111.757 172.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.08 -45.31 79.39 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 125.122 1.369 . . . . 0.0 111.418 -175.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 96.3 mt -58.6 -53.24 60.58 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 174.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.52 -38.79 72.3 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -178.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 22.8 mmt -54.41 -18.04 3.74 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.063 0.945 . . . . 0.0 113.209 177.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 96.2 mt -55.85 -33.92 35.9 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-N 119.432 1.015 . . . . 0.0 110.316 171.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 48.56 77.53 0.1 Allowed 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 125.185 1.394 . . . . 0.0 113.319 171.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -33.17 107.61 0.05 OUTLIER 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 126.101 1.76 . . . . 0.0 112.219 169.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 56.07 43.23 27.34 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.599 0.76 . . . . 0.0 112.392 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 55.42 41.68 30.76 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.538 0.735 . . . . 0.0 109.982 -171.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 18.4 tp . . . . . 0 CA--C 1.536 0.41 0 C-N-CA 125.694 1.598 . . . . 0.0 110.839 -175.549 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.449 -0.506 0 CA-C-O 118.148 -0.929 . . . . 0.0 113.321 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -58.01 -51.73 7.25 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 121.88 1.72 . . . . 0.0 111.25 178.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 94.5 mt -57.62 -49.36 76.68 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 178.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -58.09 -51.01 71.47 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -55.34 -43.85 75.38 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.7 -53.15 44.86 Favored 'General case' 0 N--CA 1.456 -0.154 0 O-C-N 122.289 -0.257 . . . . 0.0 110.481 -175.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 66.3 mt -55.86 -52.65 46.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 123.936 0.895 . . . . 0.0 108.806 178.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.53 -51.72 46.21 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.459 ' C ' HD23 ' B' ' 11' ' ' LEU . 6.4 tt -56.17 -55.69 30.03 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.958 0.903 . . . . 0.0 110.228 178.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 60.9 mt -57.25 -51.67 68.4 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 123.453 0.701 . . . . 0.0 110.586 -177.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 10.0 mm -51.57 -48.95 35.31 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.187 0 C-N-CA 123.572 0.749 . . . . 0.0 109.537 173.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -52.51 -66.64 2.53 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 123.835 0.731 . . . . 0.0 111.542 177.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 34.1 pt -60.44 -39.22 80.43 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.103 0 O-C-N 121.498 -1.001 . . . . 0.0 110.959 -175.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -67.67 -36.23 80.33 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 121.908 -0.495 . . . . 0.0 111.346 -179.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -60.16 -46.68 88.86 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 169.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -58.44 -44.09 89.02 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 118.667 0.667 . . . . 0.0 110.246 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -62.97 -78.12 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.784 174.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 88.8 p -67.45 -24.16 65.6 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 -168.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -46.94 -43.86 17.58 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 124.373 0.987 . . . . 0.0 112.987 -173.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -55.69 -29.62 59.69 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -113.33 18.19 17.98 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.511 1.524 . . . . 0.0 111.206 177.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 20.64 -91.38 0.01 OUTLIER Glycine 0 CA--C 1.529 0.91 0 C-N-CA 128.938 3.161 . . . . 0.0 115.277 -178.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -44.75 -42.22 7.54 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 125.92 1.688 . . . . 0.0 112.167 -178.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -71.0 80.37 0.66 Allowed 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 175.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -69.43 64.64 0.17 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.134 1.374 . . . . 0.0 109.71 174.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 8.4 p -142.51 152.43 42.66 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 126.042 1.737 . . . . 0.0 106.853 -173.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 3.7 tt -93.81 104.82 16.88 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 105.303 -2.11 . . . . 0.0 105.303 172.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 89.1 p -94.27 158.54 15.54 Favored 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 123.417 0.687 . . . . 0.0 111.161 -172.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 15.9 pttm -29.03 -53.72 0.12 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.938 2.095 . . . . 0.0 114.861 175.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.07 -49.92 74.37 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.769 0.795 . . . . 0.0 110.37 178.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -70.5 -33.35 71.12 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.229 1.412 . . . . 0.0 109.967 -176.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 tt -61.48 -54.1 47.73 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 125.314 1.446 . . . . 0.0 108.394 174.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -53.29 -51.24 62.94 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 177.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -52.23 -52.81 50.22 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 122.74 0.416 . . . . 0.0 111.18 175.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.8 tt -52.26 -57.9 8.29 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 119.153 -0.451 . . . . 0.0 109.976 179.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 38.0 pt -61.78 -44.87 99.43 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 119.761 -0.775 . . . . 0.0 111.175 -174.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -67.97 -36.59 80.3 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 118.864 0.757 . . . . 0.0 111.942 -177.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt . . . . . 0 CA--C 1.531 0.228 0 CA-C-N 118.747 0.703 . . . . 0.0 110.798 176.73 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 11.8 tp . . . . . 0 CA--C 1.534 0.346 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 12.8 tmm? -55.8 -52.49 63.82 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 174.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -56.72 -43.26 80.42 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 122.741 0.416 . . . . 0.0 111.303 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -59.8 -48.47 81.55 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 124.364 1.066 . . . . 0.0 110.068 176.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 57.3 tp -57.0 -44.69 83.0 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.338 0.517 . . . . 0.0 110.332 175.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -67.93 -9.84 48.47 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.73 0.812 . . . . 0.0 112.824 173.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 46.53 30.9 1.19 Allowed 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 126.284 1.834 . . . . 0.0 111.162 -169.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 53.88 26.74 6.46 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.591 1.156 . . . . 0.0 111.866 -177.415 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 35.5 mtmm -76.35 -28.1 56.7 Favored 'General case' 0 C--O 1.227 -0.099 0 O-C-N 120.813 -1.179 . . . . 0.0 111.507 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 32.2 t70 50.78 59.39 4.63 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 125.355 1.462 . . . . 0.0 110.023 -171.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -118.8 -109.24 0.36 Allowed 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.671 0.788 . . . . 0.0 109.405 177.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -131.17 119.39 21.81 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 125.516 1.526 . . . . 0.0 108.323 -174.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 86.8 t -93.95 133.65 34.27 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.173 0 N-CA-C 105.663 -1.977 . . . . 0.0 105.663 169.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -89.17 149.6 23.07 Favored 'General case' 0 N--CA 1.462 0.151 0 O-C-N 120.853 -1.154 . . . . 0.0 109.07 -169.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -42.65 -49.59 5.53 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 113.696 0.999 . . . . 0.0 113.696 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -59.75 -38.49 81.92 Favored 'General case' 0 C--O 1.225 -0.22 0 O-C-N 121.195 -0.94 . . . . 0.0 110.223 179.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -66.26 -37.56 85.78 Favored 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 121.638 -0.664 . . . . 0.0 110.237 177.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -57.54 -50.56 72.69 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.523 0.601 . . . . 0.0 110.29 172.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 26.0 mm -57.47 -51.78 65.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 O-C-N 121.721 -0.612 . . . . 0.0 111.134 176.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 9.8 m -58.84 -37.16 75.83 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.764 -0.585 . . . . 0.0 110.169 -178.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -61.57 -48.03 82.84 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.89 0.876 . . . . 0.0 110.656 174.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 tp -52.57 -48.62 66.07 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 173.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.86 -56.34 14.35 Favored Glycine 0 CA--C 1.529 0.914 0 N-CA-C 112.051 -0.42 . . . . 0.0 112.051 173.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.39 -45.23 76.65 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.361 1.064 . . . . 0.0 111.303 -177.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 81.8 mt -60.17 -56.7 18.34 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 122.173 -0.329 . . . . 0.0 110.124 175.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.15 -36.67 61.11 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.798 -0.564 . . . . 0.0 112.112 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 24.2 ttt -55.72 -18.81 9.01 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.471 1.109 . . . . 0.0 113.535 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.7 pp -61.97 -23.48 31.62 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 CA-C-N 119.72 1.145 . . . . 0.0 111.966 173.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 50.28 61.35 3.24 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 124.968 1.307 . . . . 0.0 113.208 173.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -42.59 113.09 0.42 Allowed 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.286 1.034 . . . . 0.0 110.145 170.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 54.49 40.33 31.73 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.645 0.778 . . . . 0.0 111.354 177.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 51.9 35.47 15.8 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.014 0.926 . . . . 0.0 110.905 -175.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 65.2 mt . . . . . 0 N--CA 1.45 -0.432 0 C-N-CA 124.507 1.123 . . . . 0.0 111.582 -171.521 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.539 0.557 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -79.57 60.06 7.66 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 122.295 1.997 . . . . 0.0 110.301 177.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.4 mt -41.93 -58.52 2.02 Favored 'General case' 0 C--N 1.342 0.243 0 C-N-CA 124.685 1.194 . . . . 0.0 111.013 -176.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -57.91 -47.46 82.77 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 123.174 0.59 . . . . 0.0 111.546 -172.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -60.4 -45.31 94.02 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.67 -61.24 1.98 Allowed 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.433 0.635 . . . . 0.0 110.149 -172.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.6 tt -66.73 -40.21 85.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.602 -175.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.77 -50.63 65.4 Favored Glycine 0 C--N 1.339 0.711 0 N-CA-C 110.515 -1.034 . . . . 0.0 110.515 176.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.9 tp -57.47 -53.72 54.92 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 118.131 0.966 . . . . 0.0 109.896 176.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.8 tp -55.2 -50.61 68.95 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 120.765 0.317 . . . . 0.0 111.484 -176.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 84.6 mt -61.31 -42.3 93.06 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.274 0 C-N-CA 123.269 0.628 . . . . 0.0 109.603 176.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.64 -54.74 28.77 Favored Glycine 0 CA--C 1.528 0.881 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 176.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 32.5 mm -60.26 -36.76 70.56 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 O-C-N 122.127 -0.631 . . . . 0.0 110.635 178.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -60.36 -55.62 31.38 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.983 0.811 . . . . 0.0 110.24 173.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -61.94 -24.98 67.33 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 124.668 1.187 . . . . 0.0 111.334 -177.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -53.54 -46.5 70.22 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 118.838 0.745 . . . . 0.0 109.265 170.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -78.36 -63.87 1.3 Allowed 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 177.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.4 m -54.91 -24.16 22.26 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -174.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.63 -30.34 13.54 Favored Glycine 0 CA--C 1.526 0.779 0 C-N-CA 125.333 1.444 . . . . 0.0 113.642 172.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -75.02 58.99 0.9 Allowed 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.402 1.601 . . . . 0.0 110.696 174.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 52.27 47.94 23.69 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.066 1.746 . . . . 0.0 112.841 176.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.56 -42.45 97.41 Favored Glycine 0 CA--C 1.532 1.096 0 N-CA-C 109.799 -1.32 . . . . 0.0 109.799 169.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.0 t70 68.23 -67.68 0.19 Allowed 'General case' 0 C--N 1.339 0.125 0 C-N-CA 127.444 2.298 . . . . 0.0 110.883 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -71.15 143.98 50.37 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 169.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -67.59 72.27 0.14 Allowed 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 122.608 1.194 . . . . 0.0 110.048 -178.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 65.6 p -146.74 171.2 15.51 Favored 'General case' 0 N--CA 1.435 -1.192 0 C-N-CA 126.705 2.002 . . . . 0.0 107.483 -169.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.7 tt -121.1 111.08 17.0 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 105.315 -2.106 . . . . 0.0 105.315 172.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.9 t -93.93 160.8 14.57 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.92 1.288 . . . . 0.0 111.469 -168.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -24.16 -64.47 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 127.855 2.462 . . . . 0.0 113.464 175.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.4 pttt -46.73 -51.71 15.57 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.248 1.819 . . . . 0.0 112.155 177.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -74.09 -34.58 64.03 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 124.938 1.295 . . . . 0.0 109.648 -175.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 36.7 tp -64.55 -46.32 83.3 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 176.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -56.3 -48.47 76.59 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.035 0.534 . . . . 0.0 110.67 171.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -51.45 -55.87 16.39 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.466 0.575 . . . . 0.0 110.896 175.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 58.7 tp -54.52 -52.09 63.1 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.399 0.68 . . . . 0.0 110.372 179.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 57.7 mt -53.62 -47.31 61.19 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 C-N-CA 123.513 0.725 . . . . 0.0 110.179 178.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -56.51 -51.66 67.66 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 178.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -55.1 -52.45 63.19 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 118.468 0.576 . . . . 0.0 111.676 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 . . . . . 0 CA--C 1.535 0.394 0 C-N-CA 122.691 0.396 . . . . 0.0 111.668 178.04 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 . . . . . 0 CA--C 1.536 0.42 0 CA-C-O 117.701 -1.143 . . . . 0.0 112.385 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 43.0 mm -62.46 -43.65 98.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 121.356 1.889 . . . . 0.0 110.281 173.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 70.4 t -61.34 -48.69 87.75 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 O-C-N 121.588 -0.695 . . . . 0.0 109.64 177.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -55.63 -48.26 75.24 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 122.096 -0.378 . . . . 0.0 110.376 176.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 69.7 tp -57.99 -50.06 74.69 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.458 0.703 . . . . 0.0 109.857 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 58.7 tpp -52.15 -54.27 32.74 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.528 0.731 . . . . 0.0 109.158 176.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -53.56 -51.94 61.3 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.794 0.438 . . . . 0.0 111.468 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -61.71 -46.53 89.27 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.288 0.635 . . . . 0.0 112.501 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 60.4 tp -79.92 -45.75 17.99 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.997 1.319 . . . . 0.0 112.694 -168.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -73.36 67.82 1.04 Allowed 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.14 0.976 . . . . 0.0 112.63 -167.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -79.69 54.49 1.82 Allowed 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.162 0.985 . . . . 0.0 109.523 173.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -166.17 -96.44 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 125.354 1.461 . . . . 0.0 107.931 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -169.91 157.44 6.71 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 126.683 1.993 . . . . 0.0 105.685 171.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -76.07 70.59 2.77 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.124 0.488 . . . . 0.0 110.795 -171.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -130.62 -58.02 1.04 Allowed 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 126.453 1.901 . . . . 0.0 108.694 174.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -145.07 151.71 38.96 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 106.568 -1.642 . . . . 0.0 106.568 172.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.8 m -116.91 150.21 18.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 169.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -91.9 160.12 15.43 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 121.52 -0.737 . . . . 0.0 110.168 -169.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -42.7 -42.76 3.62 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 169.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.0 tm0? -50.43 -45.95 56.18 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.117 -0.989 . . . . 0.0 111.165 172.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -68.83 -35.88 77.51 Favored 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 121.38 -0.825 . . . . 0.0 109.789 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -59.72 -45.64 91.55 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.1 0.864 . . . . 0.0 111.215 170.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 29.9 mm -56.61 -46.04 82.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 O-C-N 120.754 -1.216 . . . . 0.0 109.737 173.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.3 m -61.24 -36.73 80.77 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.664 -0.647 . . . . 0.0 110.668 177.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -57.26 -50.53 72.6 Favored 'General case' 0 C--N 1.339 0.15 0 CA-C-N 119.145 0.884 . . . . 0.0 109.75 173.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.1 tp -51.32 -52.17 47.8 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 176.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -52.95 -55.67 22.55 Favored Glycine 0 CA--C 1.533 1.169 0 N-CA-C 112.428 -0.269 . . . . 0.0 112.428 176.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.42 -52.74 60.8 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.001 1.32 . . . . 0.0 110.827 -175.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.51 -48.47 80.91 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 177.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.36 -32.75 26.85 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-O 118.046 -0.978 . . . . 0.0 113.134 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.2 mmm -48.48 -22.45 0.73 Allowed 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 175.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 15.7 tt -47.81 -41.57 8.9 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 CA-C-N 119.397 0.999 . . . . 0.0 111.455 171.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 21.0 m-30 57.76 -70.8 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 127.346 2.258 . . . . 0.0 115.188 174.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -22.9 -63.74 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 128.12 2.568 . . . . 0.0 115.233 -168.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 34.9 mp0 -71.39 -29.83 65.4 Favored 'General case' 0 C--N 1.333 -0.112 0 O-C-N 121.83 -0.543 . . . . 0.0 112.306 -172.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -77.63 -58.48 3.24 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 174.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.6 mt . . . . . 0 CA--C 1.535 0.388 0 C-N-CA 124.275 1.03 . . . . 0.0 110.894 178.128 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.538 0.517 0 N-CA-C 110.82 -0.066 . . . . 0.0 110.82 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -52.34 -51.64 10.68 Favored 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 123.966 3.111 . . . . 0.0 113.515 -168.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 81.4 mt -54.72 -58.42 7.59 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 120.792 0.329 . . . . 0.0 110.491 -177.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -67.06 -33.96 76.63 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 119.033 -0.508 . . . . 0.0 111.706 -176.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.18 -46.17 91.59 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.699 0.681 . . . . 0.0 109.405 173.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.37 -49.51 69.03 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 123.072 0.549 . . . . 0.0 110.569 -176.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 85.7 mt -54.55 -52.15 43.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 173.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.31 -52.26 13.77 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 124.571 1.082 . . . . 0.0 111.403 176.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 6.1 tt -57.42 -64.95 0.72 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.444 0.698 . . . . 0.0 109.934 177.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 30.1 tp -57.37 -54.23 49.22 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 121.454 0.645 . . . . 0.0 110.733 -172.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 41.8 mm -64.6 -38.14 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 -178.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.1 -43.12 73.22 Favored Glycine 0 CA--C 1.528 0.879 0 CA-C-N 118.816 0.734 . . . . 0.0 111.981 173.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 32.5 mm -64.75 -59.09 4.69 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-N 117.963 0.881 . . . . 0.0 109.343 173.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -45.48 -51.98 10.89 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.361 1.064 . . . . 0.0 111.497 -177.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -41.2 -39.78 1.41 Allowed 'General case' 0 C--N 1.335 -0.029 0 C-N-CA 129.058 2.943 . . . . 0.0 113.227 178.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -60.7 -44.7 96.23 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 118.199 0.454 . . . . 0.0 110.123 -174.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -82.9 -72.61 0.44 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 122.207 1.003 . . . . 0.0 108.66 172.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 73.1 m -80.92 64.6 5.74 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 125.267 1.427 . . . . 0.0 110.4 -174.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 157.48 50.9 0.01 OUTLIER Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 176.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.12 70.71 1.1 Allowed 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 117.621 0.711 . . . . 0.0 110.416 179.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 67.91 -63.71 0.31 Allowed 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 126.467 1.907 . . . . 0.0 109.756 -170.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.02 131.09 48.33 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 108.443 -1.863 . . . . 0.0 108.443 169.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -76.03 60.62 1.43 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.078 0.951 . . . . 0.0 112.097 -171.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -71.05 73.08 0.61 Allowed 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 172.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 41.5 p-80 -76.19 47.19 0.44 Allowed 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.974 0.893 . . . . 0.0 110.776 177.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 34.5 p -145.7 152.49 39.69 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 105.255 -2.128 . . . . 0.0 105.255 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 19.2 tp -122.57 135.96 54.76 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.274 1.03 . . . . 0.0 108.319 -174.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 70.4 p -92.02 155.32 18.19 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 174.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 50.3 pttt -54.79 -33.87 61.96 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 122.418 -0.176 . . . . 0.0 110.949 171.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -58.13 -60.56 3.56 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.55 0.74 . . . . 0.0 110.215 172.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -53.78 -45.57 70.74 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 121.838 -0.539 . . . . 0.0 110.853 178.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 41.9 tp -58.57 -53.8 54.2 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.557 0.743 . . . . 0.0 110.676 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -45.91 91.96 Favored 'General case' 0 C--O 1.226 -0.134 0 CA-C-N 118.938 0.79 . . . . 0.0 110.696 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.8 -46.51 74.51 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.875 0.762 . . . . 0.0 111.048 175.368 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 55.1 tp -59.31 -51.49 69.72 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 121.848 -0.532 . . . . 0.0 110.621 177.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 78.3 mt -62.76 -41.31 91.93 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-N 118.971 0.805 . . . . 0.0 109.858 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -55.09 -47.3 75.12 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 121.333 -0.854 . . . . 0.0 110.025 174.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? . . . . . 0 CA--C 1.53 0.2 0 O-C-N 121.824 -0.548 . . . . 0.0 110.529 177.183 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 65.5 tp . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 47.0 mtm -54.37 -54.28 42.68 Favored 'General case' 0 C--N 1.339 0.125 0 CA-C-N 117.99 0.359 . . . . 0.0 110.191 177.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -53.98 -53.21 56.06 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 122.249 0.22 . . . . 0.0 110.998 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -59.88 -44.25 94.3 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.175 0.99 . . . . 0.0 111.689 -176.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -72.95 -59.19 2.82 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 -176.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -81.97 56.14 3.02 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.174 0.59 . . . . 0.0 110.864 -170.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -56.12 -38.45 70.8 Favored 'General case' 0 N--CA 1.462 0.149 0 O-C-N 122.033 -0.417 . . . . 0.0 111.298 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 25.0 p-10 -63.74 -51.54 64.47 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 122.99 0.516 . . . . 0.0 111.063 -178.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -152.12 76.72 1.18 Allowed 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.893 0.877 . . . . 0.0 110.583 -173.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -73.59 69.1 1.23 Allowed 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 168.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -149.83 -100.33 0.07 Allowed 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 126.128 1.771 . . . . 0.0 108.173 -171.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -120.23 127.93 52.88 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 127.056 2.142 . . . . 0.0 105.956 171.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 35.9 m -119.77 154.55 22.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 C-N-CA 124.594 1.158 . . . . 0.0 108.896 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -91.83 158.74 16.16 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 122.952 0.501 . . . . 0.0 109.953 -171.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -39.05 -47.12 1.47 Allowed 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 170.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -57.13 -39.09 74.46 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.055 -1.028 . . . . 0.0 111.473 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -70.75 -40.94 72.39 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 121.553 -0.717 . . . . 0.0 109.785 177.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -54.16 -50.74 66.3 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.18 0.446 . . . . 0.0 110.404 172.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 10.4 mm -53.32 -50.95 44.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 O-C-N 121.897 -0.502 . . . . 0.0 110.334 173.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 30.2 m -58.05 -38.0 75.45 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.73 -0.607 . . . . 0.0 111.02 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -58.97 -47.63 84.44 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.876 0.87 . . . . 0.0 109.531 175.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.37 -49.82 71.31 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 174.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.57 -56.21 9.91 Favored Glycine 0 C--O 1.222 -0.647 0 C-N-CA 124.469 1.033 . . . . 0.0 111.285 177.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.08 -52.54 64.89 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 118.333 1.067 . . . . 0.0 110.724 177.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 58.4 tp -54.14 -37.61 64.57 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.976 0.911 . . . . 0.0 111.615 -177.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.68 -52.87 7.41 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 117.966 0.348 . . . . 0.0 111.306 175.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 52.2 ttm -52.35 -38.45 58.74 Favored 'General case' 0 CA--C 1.528 0.109 0 C-N-CA 125.989 1.715 . . . . 0.0 111.682 -174.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 13.8 tt -54.31 -27.02 16.49 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 177.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -75.35 48.36 0.42 Allowed 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.813 0.845 . . . . 0.0 110.793 175.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.86 150.66 41.23 Favored 'General case' 0 N--CA 1.455 -0.183 0 O-C-N 121.28 -0.888 . . . . 0.0 109.125 178.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 70.86 -59.53 0.53 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.612 1.565 . . . . 0.0 109.725 -169.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.27 -35.69 62.83 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.383 1.073 . . . . 0.0 112.493 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 15.5 mt . . . . . 0 CA--C 1.535 0.392 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 171.969 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.554 ' N ' ' HH ' ' B' ' 19' ' ' TYR 0.361 58.4 m . . . . . 0 CA--C 1.544 0.737 0 CA-C-O 116.821 -1.561 . . . . 0.0 114.836 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -75.16 60.72 5.63 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 CA-C-N 122.834 2.048 . . . . 0.0 110.588 176.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 mt -45.61 -61.12 1.83 Allowed 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 126.094 1.758 . . . . 0.0 110.504 -172.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -59.97 -44.78 94.24 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 112.33 0.492 . . . . 0.0 112.33 -171.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -62.53 -44.76 95.56 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 177.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.65 -54.51 10.13 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.248 0.546 . . . . 0.0 110.0 -169.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.5 mm -52.31 -52.47 24.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 170.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.79 -51.69 12.65 Favored Glycine 0 CA--C 1.525 0.677 0 C-N-CA 124.304 0.954 . . . . 0.0 112.179 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -59.89 -54.1 50.15 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 117.719 0.76 . . . . 0.0 110.215 178.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -60.53 -53.06 62.02 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.179 0.592 . . . . 0.0 110.992 -173.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mp -53.41 -50.7 47.03 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.263 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 171.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -45.64 -56.87 6.24 Favored Glycine 0 CA--C 1.525 0.681 0 C-N-CA 124.9 1.238 . . . . 0.0 111.916 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.1 tt -64.78 -49.98 77.54 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 CA-C-N 117.875 0.837 . . . . 0.0 110.931 177.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -58.21 -44.07 87.96 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.827 0.739 . . . . 0.0 111.531 -172.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -50.29 -30.05 11.06 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 126.174 1.789 . . . . 0.0 111.447 177.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -60.45 -47.99 83.72 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 119.534 1.061 . . . . 0.0 109.787 175.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -61.33 -49.57 76.46 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.0 m -48.2 -51.15 26.54 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.821 -0.172 . . . . 0.0 110.625 172.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.12 -56.95 9.47 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 125.424 1.488 . . . . 0.0 111.507 177.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -77.92 60.92 2.42 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 118.103 0.951 . . . . 0.0 111.233 174.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 62.88 26.55 15.62 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 126.4 1.88 . . . . 0.0 114.075 169.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.55 48.34 3.42 Favored Glycine 0 CA--C 1.532 1.12 0 CA-C-N 119.197 0.908 . . . . 0.0 111.923 175.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.7 t70 53.76 -75.21 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 128.057 2.543 . . . . 0.0 113.485 -178.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -150.01 -54.67 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 127.296 2.238 . . . . 0.0 106.199 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -151.47 60.39 0.89 Allowed 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.643 173.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.5 p -135.85 170.19 16.39 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 173.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.1 mt -118.91 113.84 21.67 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 126.162 1.785 . . . . 0.0 107.366 176.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.9 m -92.91 165.53 12.84 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 168.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -30.86 -52.59 0.18 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 127.527 2.331 . . . . 0.0 114.13 -171.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -63.7 -50.48 69.0 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.219 0.463 . . . . 0.0 111.257 -177.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -64.1 -43.16 96.19 Favored 'General case' 0 N--CA 1.455 -0.176 0 O-C-N 121.914 -0.491 . . . . 0.0 109.897 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 36.7 tp -58.0 -49.82 75.53 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.7 tmtm? -54.16 -49.39 69.4 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.824 0.849 . . . . 0.0 109.878 175.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -54.14 -53.48 52.77 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.59 0.632 . . . . 0.0 110.921 176.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.1 tp -54.65 -57.13 12.66 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.854 0.461 . . . . 0.0 110.045 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.6 mp -56.88 -47.49 82.97 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.245 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 -178.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -54.34 -50.6 67.04 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.53 0.732 . . . . 0.0 110.564 178.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.7 ttpp -59.46 -44.79 92.92 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 122.855 0.462 . . . . 0.0 110.912 177.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 . . . . . 0 CA--C 1.535 0.404 0 O-C-N 121.958 -0.464 . . . . 0.0 111.963 175.043 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 . . . . . 0 N--CA 1.446 -0.664 0 CA-C-O 117.798 -1.096 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.2 mp -63.53 -45.02 98.88 Favored 'Isoleucine or valine' 0 C--N 1.343 0.322 0 CA-C-N 120.873 1.669 . . . . 0.0 110.359 -174.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.8 t -55.85 -56.29 13.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 123.403 0.681 . . . . 0.0 109.54 178.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -56.2 -52.23 65.15 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 120.794 0.33 . . . . 0.0 110.674 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 79.0 mt -64.1 -49.88 70.49 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 118.994 -0.527 . . . . 0.0 110.609 -173.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.3 ptm -60.95 -41.98 97.34 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 119.195 0.907 . . . . 0.0 110.289 179.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -56.38 -54.48 45.02 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 117.831 0.287 . . . . 0.0 110.563 176.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -56.87 -48.38 78.25 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 121.133 0.492 . . . . 0.0 111.968 178.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 65.7 mt -76.27 -35.18 59.05 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.062 0.545 . . . . 0.0 112.235 -169.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -78.56 62.83 3.23 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 119.031 0.832 . . . . 0.0 111.926 -174.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 47.7 mtm-85 -74.91 64.5 1.31 Allowed 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 168.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 48.7 35.47 6.36 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.126 1.37 . . . . 0.0 111.471 -167.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -87.83 -13.79 41.22 Favored 'General case' 0 C--O 1.223 -0.318 0 C-N-CA 123.876 0.87 . . . . 0.0 111.547 -179.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -48.39 -23.95 1.09 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.099 0.96 . . . . 0.0 113.46 176.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -55.25 -59.48 4.73 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.236 1.014 . . . . 0.0 110.292 168.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -148.32 108.63 4.12 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.825 1.65 . . . . 0.0 110.652 171.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.9 t -92.36 127.31 44.64 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.102 0 N-CA-C 104.736 -2.32 . . . . 0.0 104.736 169.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -89.94 152.29 21.29 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 119.796 1.18 . . . . 0.0 110.461 -168.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -41.93 -44.06 3.3 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.966 0.907 . . . . 0.0 113.089 174.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -61.0 -37.85 83.99 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.23 -0.919 . . . . 0.0 111.01 178.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -67.41 -40.53 85.57 Favored 'General case' 0 N--CA 1.454 -0.275 0 O-C-N 121.452 -0.78 . . . . 0.0 109.764 173.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -56.75 -44.96 82.25 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.61 0.641 . . . . 0.0 110.634 173.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.47 -43.85 94.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 O-C-N 121.408 -0.807 . . . . 0.0 110.356 179.199 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.3 m -59.31 -43.91 92.59 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.767 -0.583 . . . . 0.0 109.457 177.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -53.98 -46.02 71.58 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.708 1.203 . . . . 0.0 110.53 170.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.55 -49.39 76.51 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 177.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -52.0 -55.69 20.05 Favored Glycine 0 N--CA 1.447 -0.571 0 CA-C-O 119.247 -0.752 . . . . 0.0 111.709 177.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.55 -55.48 28.81 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 117.789 0.795 . . . . 0.0 110.598 178.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.9 tp -53.8 -42.51 68.45 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.874 1.27 . . . . 0.0 111.041 -177.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.36 -65.28 0.75 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.167 0.587 . . . . 0.0 110.604 176.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 13.9 ptm -59.38 -26.92 65.51 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.82 0.848 . . . . 0.0 113.207 -168.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.0 tt -51.76 -31.84 13.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 CA-C-N 119.18 0.9 . . . . 0.0 111.136 174.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -72.29 14.59 0.22 Allowed 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.272 0.842 . . . . 0.0 113.272 177.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -30.83 -50.41 0.14 Allowed 'General case' 0 C--N 1.342 0.251 0 C-N-CA 127.121 2.168 . . . . 0.0 113.95 175.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -56.47 -38.29 71.49 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.123 0.569 . . . . 0.0 111.961 -176.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -81.89 -52.42 7.1 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 176.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 CA--C 1.532 0.277 0 C-N-CA 123.653 0.781 . . . . 0.0 112.194 -175.266 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 CA--C 1.536 0.423 0 CA-C-O 118.866 -0.587 . . . . 0.0 109.892 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -54.92 -47.68 25.3 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 122.683 2.256 . . . . 0.0 110.808 -177.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 88.6 mt -56.82 -39.98 75.17 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 122.85 0.46 . . . . 0.0 111.216 175.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -66.81 -49.08 66.95 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 122.058 -0.401 . . . . 0.0 110.066 -176.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -63.28 -33.92 76.56 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 119.78 -0.768 . . . . 0.0 111.473 173.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.38 -50.42 72.96 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 119.287 0.949 . . . . 0.0 110.317 177.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 78.7 mt -57.59 -46.83 86.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 174.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.15 -55.36 10.42 Favored Glycine 0 CA--C 1.529 0.958 0 C-N-CA 123.854 0.74 . . . . 0.0 111.597 175.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 7.3 mp -55.47 -56.05 24.72 Favored 'General case' 0 C--O 1.226 -0.175 0 C-N-CA 123.522 0.729 . . . . 0.0 109.553 175.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 24.4 tp -50.31 -56.44 11.26 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.184 0.447 . . . . 0.0 111.202 -176.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 47.1 mm -63.33 -50.17 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 C-N-CA 123.051 0.54 . . . . 0.0 109.895 -178.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.95 -49.57 61.92 Favored Glycine 0 CA--C 1.53 0.99 0 CA-C-N 118.68 0.673 . . . . 0.0 111.646 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 90.8 mt -57.56 -53.78 39.86 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 175.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -53.57 -44.43 69.31 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.812 -0.555 . . . . 0.0 111.654 -179.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -42.82 71.92 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.706 1.202 . . . . 0.0 110.836 175.019 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 51.3 tttm -55.8 -42.73 76.04 Favored 'General case' 0 C--N 1.34 0.169 0 CA-C-N 118.095 0.407 . . . . 0.0 109.919 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . 0.554 ' HH ' ' N ' ' A' ' 3' ' ' SER . 90.2 m-85 -72.1 -71.3 0.29 Allowed 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 174.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 37.9 p -51.91 -30.23 23.37 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.17 0.988 . . . . 0.0 113.495 -169.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -50.24 -42.84 41.99 Favored Glycine 0 CA--C 1.527 0.842 0 O-C-N 121.362 -0.836 . . . . 0.0 113.945 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 4.5 ptpp? -74.4 -33.51 63.03 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.561 1.18 . . . . 0.0 112.939 -169.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -164.75 30.4 0.07 Allowed 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.136 0.425 . . . . 0.0 111.606 -171.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.97 -11.32 84.82 Favored Glycine 0 CA--C 1.527 0.794 0 O-C-N 120.808 -1.183 . . . . 0.0 112.785 -173.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 25.7 t70 70.68 -63.32 0.41 Allowed 'General case' 0 C--N 1.339 0.132 0 C-N-CA 126.407 1.883 . . . . 0.0 109.891 -169.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.01 -154.84 0.66 Allowed 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 169.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -75.81 62.09 1.5 Allowed 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.836 0.827 . . . . 0.0 109.487 174.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 16.4 p -144.65 170.06 16.8 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 128.434 2.694 . . . . 0.0 105.29 -174.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 12.0 tp -118.71 141.11 48.92 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.195 0.998 . . . . 0.0 109.922 -169.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 78.6 p -121.2 162.45 20.14 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.176 0.99 . . . . 0.0 113.217 -176.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -44.46 -45.92 9.38 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.752 1.221 . . . . 0.0 112.788 178.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -55.78 -39.59 71.47 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 121.625 -0.672 . . . . 0.0 110.761 178.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -77.13 -30.82 55.35 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.673 0.789 . . . . 0.0 110.131 -178.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.93 -46.29 89.99 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 121.424 -0.797 . . . . 0.0 109.129 168.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -59.76 -41.09 90.26 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.308 -0.87 . . . . 0.0 110.756 175.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -53.75 -52.13 61.17 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.638 -0.664 . . . . 0.0 109.696 171.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 58.4 tp -55.34 -49.91 71.01 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.042 0.537 . . . . 0.0 110.934 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 95.7 mt -53.06 -54.27 17.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 176.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -56.88 -37.44 71.37 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 122.412 -0.18 . . . . 0.0 111.401 178.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 C-N-CA 123.262 0.625 . . . . 0.0 111.084 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 38.9 tp . . . . . 0 CA--C 1.534 0.328 0 N-CA-C 110.707 -0.108 . . . . 0.0 110.707 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 2.2 ttp -55.64 -52.32 64.22 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.382 0.673 . . . . 0.0 109.794 172.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -55.33 -47.35 75.82 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 122.03 -0.418 . . . . 0.0 110.799 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -57.13 -53.12 61.67 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.825 0.85 . . . . 0.0 109.998 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 21.5 tp -53.77 -44.65 70.23 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 123.949 0.9 . . . . 0.0 110.908 175.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -68.84 -12.78 61.91 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 177.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 51.43 36.44 16.63 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 -168.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 76.8 -22.94 0.26 Allowed 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 128.575 2.75 . . . . 0.0 114.36 -175.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -78.47 67.89 4.35 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 120.973 -1.079 . . . . 0.0 110.949 -175.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -70.41 76.82 0.56 Allowed 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.552 -0.717 . . . . 0.0 110.935 179.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.49 -85.54 0.12 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 126.132 1.773 . . . . 0.0 108.192 178.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -138.62 138.11 37.56 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 106.53 -1.655 . . . . 0.0 106.53 168.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 34.5 m -139.25 158.21 28.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 124.661 1.184 . . . . 0.0 109.751 -171.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -93.32 153.32 18.62 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.054 0.542 . . . . 0.0 111.103 -169.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 93.6 t80 -45.45 -38.67 6.32 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.503 1.121 . . . . 0.0 113.131 173.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.0 tm0? -45.82 -42.78 12.72 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.134 -0.978 . . . . 0.0 111.241 172.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -73.69 -30.82 63.1 Favored 'General case' 0 N--CA 1.449 -0.507 0 O-C-N 121.456 -0.777 . . . . 0.0 109.859 -177.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -62.2 -46.36 89.23 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 121.67 -0.643 . . . . 0.0 110.352 169.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 23.9 mm -57.9 -47.22 86.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 O-C-N 122.022 -0.424 . . . . 0.0 109.948 173.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 23.5 m -56.8 -43.91 81.41 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 177.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -54.81 -50.39 68.68 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 124.04 0.936 . . . . 0.0 111.321 172.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 16.4 tp -55.41 -52.04 64.88 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 177.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -49.47 -59.38 7.21 Favored Glycine 0 C--N 1.336 0.53 0 C-N-CA 124.027 0.822 . . . . 0.0 111.693 177.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.47 -55.65 29.35 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 124.079 0.952 . . . . 0.0 110.34 -179.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 43.7 tp -57.06 -52.53 64.91 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.505 0.722 . . . . 0.0 110.657 -175.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.83 -47.45 85.65 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 122.057 -0.402 . . . . 0.0 111.192 178.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 28.6 ttt -62.91 -36.76 84.45 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 122.105 -0.372 . . . . 0.0 111.238 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 51.4 mt -62.15 -42.62 95.84 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 C-N-CA 124.172 0.989 . . . . 0.0 109.16 174.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -73.76 52.61 0.42 Allowed 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.727 0.775 . . . . 0.0 110.515 169.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -62.26 -48.53 79.49 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.675 0.79 . . . . 0.0 110.234 -169.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.65 -47.32 50.03 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.737 0.815 . . . . 0.0 111.738 177.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.76 -45.89 73.65 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 122.821 0.448 . . . . 0.0 110.324 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 34.7 tp . . . . . 0 CA--C 1.539 0.522 0 C-N-CA 123.331 0.653 . . . . 0.0 111.738 177.833 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.3 p . . . . . 0 N--CA 1.45 -0.47 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -51.86 -43.56 50.93 Favored 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 122.49 2.126 . . . . 0.0 111.308 169.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 11.0 mp -55.59 -55.09 36.05 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 175.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -63.17 -33.32 75.23 Favored 'General case' 0 C--O 1.226 -0.176 0 O-C-N 121.862 -0.524 . . . . 0.0 112.159 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -59.5 -49.58 77.22 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.701 0.682 . . . . 0.0 109.331 172.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.83 -52.96 61.11 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 122.777 0.431 . . . . 0.0 110.006 -176.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 78.0 mt -52.0 -52.97 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 175.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.87 -54.53 9.17 Favored Glycine 0 CA--C 1.525 0.718 0 C-N-CA 125.164 1.364 . . . . 0.0 111.743 177.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 36.6 mt -59.35 -49.9 76.03 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 117.548 0.674 . . . . 0.0 110.742 178.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.9 mt -57.43 -55.51 33.82 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 123.302 0.641 . . . . 0.0 111.465 -178.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.5 pt -66.72 -33.49 63.8 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.362 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.11 -60.36 9.06 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 175.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.8 tt -63.2 -34.55 67.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 118.074 0.937 . . . . 0.0 110.518 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -56.15 -50.55 70.82 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.679 -0.638 . . . . 0.0 111.37 173.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -60.27 -35.71 76.16 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 124.286 1.034 . . . . 0.0 109.495 176.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -60.68 -55.3 34.87 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.467 0.576 . . . . 0.0 109.55 176.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -54.8 -57.15 12.72 Favored 'General case' 0 C--N 1.34 0.166 0 CA-C-O 121.023 0.44 . . . . 0.0 110.27 177.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.6 t -51.49 -37.26 48.2 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.237 0.615 . . . . 0.0 111.062 178.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.15 -34.85 53.61 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 124.716 1.151 . . . . 0.0 112.71 175.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -74.63 61.36 0.96 Allowed 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.613 1.206 . . . . 0.0 110.599 178.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 54.74 34.16 21.14 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.231 1.413 . . . . 0.0 112.546 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.99 -42.32 5.36 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 108.463 -1.855 . . . . 0.0 108.463 168.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.2 t70 70.11 -64.95 0.34 Allowed 'General case' 0 C--N 1.34 0.187 0 C-N-CA 127.093 2.157 . . . . 0.0 111.981 173.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -73.18 154.41 40.3 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 174.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -77.71 65.09 3.12 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 122.099 0.952 . . . . 0.0 110.106 -177.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 58.5 p -138.05 159.46 41.97 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 105.978 -1.86 . . . . 0.0 105.978 172.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.0 mt -94.47 122.82 37.44 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 106.364 -1.717 . . . . 0.0 106.364 169.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.6 t -93.75 173.17 7.81 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.814 0.845 . . . . 0.0 109.806 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.6 mttp -37.65 -58.75 0.86 Allowed 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 126.988 2.115 . . . . 0.0 111.277 -177.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -59.65 -38.97 82.87 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.955 0.902 . . . . 0.0 112.085 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -69.83 -43.31 72.24 Favored 'General case' 0 N--CA 1.455 -0.195 0 O-C-N 121.467 -0.77 . . . . 0.0 109.932 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 54.3 tp -57.96 -46.97 84.28 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 173.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -54.75 -51.86 64.35 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.543 0.337 . . . . 0.0 110.361 175.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -53.0 -50.86 63.34 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.273 0.488 . . . . 0.0 110.556 177.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.1 tp -55.28 -55.51 30.62 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 122.251 -0.281 . . . . 0.0 110.296 178.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 71.4 mt -52.8 -47.18 51.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 C-N-CA 123.749 0.82 . . . . 0.0 110.297 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -58.26 -49.35 77.43 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.576 1.15 . . . . 0.0 110.4 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -64.97 -44.67 88.59 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 122.534 0.334 . . . . 0.0 111.323 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 . . . . . 0 CA--C 1.534 0.342 0 CA-C-N 117.908 0.322 . . . . 0.0 110.767 172.858 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 . . . . . 0 CA--C 1.536 0.424 0 CA-C-O 118.692 -0.671 . . . . 0.0 111.809 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 41.4 mm -62.11 -43.46 97.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 CA-C-N 119.994 1.27 . . . . 0.0 110.282 173.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 79.8 t -60.66 -45.52 97.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 O-C-N 121.476 -0.765 . . . . 0.0 109.929 176.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -55.75 -49.02 74.23 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.92 -0.487 . . . . 0.0 110.248 175.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.4 tp -57.51 -51.61 68.76 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.378 0.671 . . . . 0.0 110.176 177.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 27.4 ttt -49.91 -53.74 24.11 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.78 0.832 . . . . 0.0 109.652 177.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -58.39 -50.45 73.64 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 122.64 0.376 . . . . 0.0 111.405 177.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -53.63 -42.15 67.48 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.882 0.873 . . . . 0.0 111.753 -178.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.3 mt -77.25 -64.06 1.23 Allowed 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.296 0.569 . . . . 0.0 110.039 176.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -78.27 73.28 4.83 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.334 1.054 . . . . 0.0 109.317 178.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 84.1 mtm-85 -73.34 69.16 1.12 Allowed 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 174.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 56.58 40.34 29.44 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.546 1.538 . . . . 0.0 111.113 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -82.17 60.22 4.83 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 174.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.1 t70 56.61 -85.6 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.48 1.512 . . . . 0.0 109.4 -168.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -158.03 32.5 0.25 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.649 1.179 . . . . 0.0 109.158 169.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -106.94 170.58 7.86 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 125.482 1.513 . . . . 0.0 107.465 -178.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 81.1 t -126.06 131.28 71.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 106.358 -1.719 . . . . 0.0 106.358 169.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -93.16 152.13 19.42 Favored 'General case' 0 CA--C 1.53 0.201 0 O-C-N 121.641 -0.662 . . . . 0.0 109.586 -174.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -45.6 -43.09 11.95 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 174.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.08 -47.95 44.63 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.81 0.814 . . . . 0.0 110.195 173.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -70.95 -34.65 71.67 Favored 'General case' 0 N--CA 1.447 -0.59 0 O-C-N 121.804 -0.56 . . . . 0.0 110.819 -177.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -58.98 -48.98 79.63 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 118.897 0.771 . . . . 0.0 110.686 170.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 40.3 mm -55.72 -53.86 32.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 O-C-N 121.881 -0.512 . . . . 0.0 110.123 174.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 21.1 m -57.27 -38.32 73.72 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 121.942 -0.474 . . . . 0.0 110.403 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -63.55 -42.42 98.39 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 125.175 1.39 . . . . 0.0 110.526 177.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.7 tt -53.9 -50.04 67.24 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 172.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.94 -57.14 9.02 Favored Glycine 0 CA--C 1.527 0.787 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.753 172.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.35 -48.97 70.83 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.356 1.063 . . . . 0.0 111.773 -178.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 80.5 mt -54.25 -58.81 5.97 Favored 'General case' 0 CA--C 1.528 0.12 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 177.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.65 -43.41 76.24 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 27.5 ttp -62.36 -14.16 36.93 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 125.503 1.521 . . . . 0.0 113.093 -173.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.7 tp -58.84 -35.68 57.39 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-N 119.101 0.864 . . . . 0.0 109.787 169.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 64.9 -50.87 0.33 Allowed 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 128.349 2.66 . . . . 0.0 115.042 176.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -44.84 119.88 2.12 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 119.288 0.949 . . . . 0.0 111.407 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 67.61 -63.49 0.3 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.965 1.706 . . . . 0.0 111.752 -171.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.67 -49.92 3.05 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 125.733 1.613 . . . . 0.0 112.859 -175.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 38.1 tp . . . . . 0 C--O 1.225 -0.206 0 C-N-CA 123.885 0.874 . . . . 0.0 112.326 -175.288 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.537 0.445 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -50.56 -49.59 16.18 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 123.469 2.779 . . . . 0.0 112.241 -175.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.448 HD22 ' H ' ' B' ' 5' ' ' LEU . 3.2 mm? -52.16 -53.51 42.16 Favored 'General case' 0 C--O 1.226 -0.18 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 175.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -63.69 -49.35 73.49 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 122.648 0.379 . . . . 0.0 110.852 -172.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -53.14 -48.21 68.1 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.086 0.554 . . . . 0.0 109.518 175.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.18 -57.17 6.46 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 120.827 0.346 . . . . 0.0 110.61 -172.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 91.6 mt -53.27 -50.41 47.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 124.231 1.012 . . . . 0.0 108.521 177.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.75 -57.75 10.33 Favored Glycine 0 CA--C 1.524 0.644 0 C-N-CA 124.4 1.0 . . . . 0.0 111.473 178.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 71.7 mt -54.9 -55.26 32.45 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 117.314 0.557 . . . . 0.0 110.391 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 44.5 mt -55.78 -57.87 10.21 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 122.445 0.298 . . . . 0.0 111.028 -176.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.431 HD12 ' HA ' ' B' ' 13' ' ' ILE . 8.6 tp -66.11 -40.87 88.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 O-C-N 122.236 -0.29 . . . . 0.0 110.381 -174.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.07 -59.15 11.15 Favored Glycine 0 C--N 1.337 0.613 0 N-CA-C 110.281 -1.127 . . . . 0.0 110.281 175.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 88.1 mt -53.38 -48.8 56.22 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 O-C-N 122.197 -0.59 . . . . 0.0 109.439 178.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -56.68 -46.2 81.31 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -58.89 -47.58 84.44 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.113 0.565 . . . . 0.0 110.156 175.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 56.7 mttm -65.76 -45.45 82.49 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.061 0.458 . . . . 0.0 109.913 -171.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -80.59 -82.44 0.12 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.513 177.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.46 -39.78 81.3 Favored 'General case' 0 N--CA 1.449 -0.483 0 O-C-N 120.875 -1.141 . . . . 0.0 111.484 -169.062 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.92 -62.88 5.87 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 178.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.21 -42.44 99.29 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 117.455 0.628 . . . . 0.0 111.607 -177.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -86.05 -51.45 6.32 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.218 0.463 . . . . 0.0 112.035 -170.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.2 -36.78 9.57 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 124.167 0.889 . . . . 0.0 111.838 -175.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 7.9 t70 60.48 -157.69 0.33 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.678 1.191 . . . . 0.0 109.384 -171.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? 39.12 32.76 0.07 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 127.033 2.133 . . . . 0.0 113.852 -176.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 44.3 m80 39.98 47.64 1.97 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.087 1.355 . . . . 0.0 112.29 -170.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 5.8 t -144.05 160.37 41.0 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 122.739 1.257 . . . . 0.0 111.993 -171.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 9.2 mp -101.71 165.41 11.23 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 127.686 2.394 . . . . 0.0 105.044 165.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 79.3 p -130.12 170.03 14.57 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 126.816 2.046 . . . . 0.0 106.093 169.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 33.6 tttp -54.42 -39.87 67.76 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 171.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -60.11 -58.96 6.29 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.847 0.859 . . . . 0.0 110.59 177.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -56.05 -43.88 78.33 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 118.196 0.453 . . . . 0.0 110.584 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 57.4 tp -59.24 -52.35 66.03 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.27 0.628 . . . . 0.0 109.904 -179.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -52.56 -53.97 39.2 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 124.212 1.005 . . . . 0.0 110.042 176.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -54.51 -53.39 55.06 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 122.845 0.458 . . . . 0.0 110.589 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 55.5 tp -54.97 -56.94 14.06 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 97.7 mt -59.19 -48.32 87.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -174.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.42 -43.75 79.72 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 118.363 0.529 . . . . 0.0 110.628 178.138 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm . . . . . 0 N--CA 1.454 -0.259 0 C-N-CA 122.544 0.338 . . . . 0.0 110.757 -179.72 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 51.3 tp . . . . . 0 CA--C 1.536 0.44 0 CA-C-O 120.87 0.367 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 70.0 mtm -57.2 -49.25 76.59 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.213 0.605 . . . . 0.0 110.478 176.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -56.77 -45.52 82.04 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.422 0.555 . . . . 0.0 111.44 178.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -61.24 -47.87 84.07 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.564 0.746 . . . . 0.0 110.227 -178.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 56.2 mt -69.31 -61.01 1.96 Allowed 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 120.755 0.312 . . . . 0.0 110.347 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -78.19 56.69 1.71 Allowed 'General case' 0 C--O 1.233 0.197 0 C-N-CA 123.919 0.888 . . . . 0.0 109.921 176.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.08 80.65 1.73 Allowed 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 106.907 -1.516 . . . . 0.0 106.907 175.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 19.2 m-20 84.96 -35.05 0.05 Allowed 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 126.775 2.03 . . . . 0.0 110.78 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -72.9 52.05 0.3 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.642 1.177 . . . . 0.0 112.516 -178.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -49.98 -37.75 33.82 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.877 1.271 . . . . 0.0 113.278 -171.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -103.3 -5.8 22.66 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.578 0.751 . . . . 0.0 112.043 -177.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -132.83 67.86 1.52 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.305 0.957 . . . . 0.0 113.448 -167.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 78.5 t -98.17 97.43 6.11 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 N-CA-C 103.522 -2.769 . . . . 0.0 103.522 166.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -87.22 158.62 19.07 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-O 121.209 0.528 . . . . 0.0 112.131 -164.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -39.87 -49.2 2.39 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.208 1.403 . . . . 0.0 113.446 176.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 27.5 mm100 -64.85 -31.0 72.03 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 120.84 -1.162 . . . . 0.0 111.836 178.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -70.28 -37.94 74.95 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.23 -0.919 . . . . 0.0 109.84 172.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -59.58 -46.14 89.81 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.808 0.731 . . . . 0.0 110.095 172.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 16.6 mm -55.81 -50.67 66.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 O-C-N 121.717 -0.614 . . . . 0.0 110.339 173.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 28.8 m -56.46 -40.8 75.44 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.602 -0.686 . . . . 0.0 110.234 177.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -63.11 -38.52 91.49 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.062 0.545 . . . . 0.0 111.313 175.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 tt -55.21 -51.42 66.62 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 170.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.15 -53.07 16.09 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 123.398 0.523 . . . . 0.0 111.969 174.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.51 -47.77 84.23 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 117.64 0.72 . . . . 0.0 111.566 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 35.0 tp -59.42 -45.85 90.38 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.135 0.974 . . . . 0.0 109.918 -178.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.35 -52.55 65.13 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 171.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 17.1 tmm? -50.89 -48.72 60.32 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 123.85 0.86 . . . . 0.0 111.32 -177.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 44.7 pt -65.32 -19.44 25.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 118.952 0.796 . . . . 0.0 112.963 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 12.2 m-30 -70.76 -13.62 62.12 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 119.566 1.076 . . . . 0.0 111.235 170.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 38.4 t30 34.64 -73.89 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 130.198 3.399 . . . . 0.0 116.227 168.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . 0.418 ' CD ' ' H ' ' B' ' 86' ' ' GLU . 23.7 mp0 -52.09 -41.91 62.79 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.755 0.822 . . . . 0.0 109.638 176.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.9 -31.59 50.47 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.469 0.708 . . . . 0.0 112.219 176.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 14.5 mt . . . . . 0 CA--C 1.534 0.358 0 C-N-CA 124.211 1.004 . . . . 0.0 111.143 -179.719 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 CA--C 1.534 0.345 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_exo -46.6 -50.25 10.78 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 123.813 3.009 . . . . 0.0 114.162 -174.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.9 tp -59.42 -42.93 92.98 Favored 'General case' 0 CA--C 1.528 0.116 0 O-C-N 121.683 -0.636 . . . . 0.0 110.714 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -64.86 -41.04 96.01 Favored 'General case' 0 N--CA 1.455 -0.201 0 O-C-N 121.918 -0.489 . . . . 0.0 110.679 178.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -58.11 -44.54 87.75 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 122.244 -0.285 . . . . 0.0 110.311 172.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.13 -51.32 66.98 Favored 'General case' 0 N--CA 1.457 -0.099 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -177.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 86.5 mt -51.72 -51.23 28.31 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.205 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 173.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.65 -52.8 19.1 Favored Glycine 0 CA--C 1.529 0.964 0 C-N-CA 124.332 0.968 . . . . 0.0 111.905 176.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -57.18 -55.81 29.86 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.7 mp -51.8 -60.63 2.95 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.914 0.886 . . . . 0.0 111.442 -178.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 pp -58.96 -43.67 89.26 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.141 0 CA-C-N 118.177 0.444 . . . . 0.0 110.022 -177.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.66 -60.93 8.1 Favored Glycine 0 C--N 1.338 0.646 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 -179.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 16.1 tt -62.96 -41.31 92.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.229 -177.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -62.19 -41.87 98.76 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 118.594 0.633 . . . . 0.0 111.681 -178.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -59.0 -44.1 91.61 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 122.961 0.504 . . . . 0.0 110.625 173.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -65.88 -62.58 1.42 Allowed 'General case' 0 CA--C 1.528 0.129 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -178.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -51.85 -81.43 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 127.273 2.229 . . . . 0.0 110.463 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.86 70.08 8.69 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.175 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 178.36 -62.17 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.429 0 N-CA-C 111.415 -0.674 . . . . 0.0 111.415 174.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.61 -39.52 14.02 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -114.64 31.57 6.55 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.632 1.173 . . . . 0.0 110.657 -173.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.46 175.91 37.14 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 109.188 -1.565 . . . . 0.0 109.188 -171.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -63.75 151.0 43.28 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.584 0.753 . . . . 0.0 110.997 -172.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.2 94.43 0.15 Allowed 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 125.329 1.451 . . . . 0.0 111.654 -168.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 59.04 35.68 24.04 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 126.013 1.725 . . . . 0.0 111.68 170.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.4 t -145.15 141.61 28.9 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 177.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 tt -111.13 129.81 55.82 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 125.876 1.671 . . . . 0.0 107.753 -173.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.6 t -145.27 174.7 10.87 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 126.792 2.037 . . . . 0.0 108.593 -178.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.46 -33.43 9.34 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.973 0.909 . . . . 0.0 112.386 178.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -55.72 -55.39 32.87 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.055 0.942 . . . . 0.0 110.129 173.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.2 mp0 -65.95 -39.72 90.71 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.291 0.637 . . . . 0.0 109.479 -177.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.97 -55.56 31.29 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 174.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -50.97 -54.9 20.33 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.612 1.165 . . . . 0.0 109.81 178.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -57.08 -43.2 81.92 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 117.902 0.319 . . . . 0.0 111.656 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.4 tp -59.46 -54.98 40.38 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 118.323 0.511 . . . . 0.0 110.773 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 36.6 pt -64.66 -39.39 85.46 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.235 0 C-N-CA 120.029 -0.668 . . . . 0.0 110.442 -178.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -54.76 -49.05 71.8 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 121.589 -0.694 . . . . 0.0 110.355 175.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -66.53 -54.58 22.16 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.092 0.557 . . . . 0.0 111.306 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 . . . . . 0 CA--C 1.53 0.183 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -169.838 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 . . . . . 0 N--CA 1.447 -0.621 0 CA-C-O 117.031 -1.461 . . . . 0.0 112.033 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.6 pt -62.68 -45.39 98.95 Favored 'Isoleucine or valine' 0 C--N 1.346 0.428 0 CA-C-N 121.935 2.152 . . . . 0.0 110.569 -177.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.9 p -66.62 -42.82 90.4 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.623 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 65.8 tttp -57.97 -49.17 77.71 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 118.318 0.508 . . . . 0.0 110.461 176.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.1 mt -63.26 -48.07 79.73 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 122.777 0.431 . . . . 0.0 109.92 -178.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -51.31 -50.35 59.54 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.545 0.611 . . . . 0.0 110.127 173.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -59.66 -51.02 71.58 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 120.592 0.234 . . . . 0.0 111.053 -178.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -55.94 -50.26 71.23 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.666 0.787 . . . . 0.0 111.587 178.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 51.0 mt -79.91 -47.75 14.54 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.298 0.639 . . . . 0.0 111.995 -169.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -118.18 -31.52 4.98 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 124.207 1.003 . . . . 0.0 112.705 -169.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.42 -62.83 0.43 Allowed 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 124.147 0.979 . . . . 0.0 111.353 175.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -134.96 -68.13 0.54 Allowed 'General case' 0 N--CA 1.457 -0.099 0 C-N-CA 123.888 0.875 . . . . 0.0 110.398 -177.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -151.5 160.6 43.63 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 32.77 56.22 0.42 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 127.252 2.221 . . . . 0.0 115.679 169.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -135.95 147.16 47.95 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 168.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -142.5 150.13 40.08 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 105.941 -1.874 . . . . 0.0 105.941 -178.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 6.0 m -110.11 147.45 14.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 176.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -90.63 166.63 13.07 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.239 -0.913 . . . . 0.0 109.6 -169.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -37.94 -49.45 1.24 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.508 1.123 . . . . 0.0 113.442 173.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -58.68 -37.23 75.59 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.535 1.061 . . . . 0.0 111.242 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -73.97 -34.03 64.08 Favored 'General case' 0 N--CA 1.452 -0.36 0 O-C-N 121.338 -0.852 . . . . 0.0 111.165 176.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -52.66 -53.43 47.31 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 119.29 0.95 . . . . 0.0 109.502 171.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -51.28 74.48 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.289 0 C-N-CA 119.289 -0.964 . . . . 0.0 110.19 175.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.9 m -49.26 -44.63 43.94 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.155 0.889 . . . . 0.0 111.465 -179.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -61.5 -47.49 85.38 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.473 1.109 . . . . 0.0 110.519 176.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.3 tt -48.2 -52.35 21.3 Favored 'General case' 0 C--N 1.342 0.268 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 172.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.67 -52.41 45.86 Favored Glycine 0 C--O 1.225 -0.463 0 CA-C-O 119.367 -0.685 . . . . 0.0 111.72 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.34 -54.71 43.73 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 118.395 1.098 . . . . 0.0 110.821 178.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -54.11 -42.52 69.53 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 125.916 1.686 . . . . 0.0 110.791 -177.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.95 -47.44 45.45 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.848 0.859 . . . . 0.0 111.223 178.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 27.5 ttt -67.44 -41.48 84.69 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 123.632 0.773 . . . . 0.0 111.938 -169.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 18.4 tt -39.42 -42.96 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 C-N-CA 124.797 1.239 . . . . 0.0 114.284 -169.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -57.71 -41.91 82.69 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.893 -0.505 . . . . 0.0 111.805 -179.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 60.18 -69.18 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 127.159 2.184 . . . . 0.0 112.727 -179.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -50.75 -41.88 56.99 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 124.646 1.178 . . . . 0.0 110.934 179.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.15 -31.07 68.64 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 178.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 61.7 mt . . . . . 0 N--CA 1.456 -0.17 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 177.576 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 CA--C 1.537 0.48 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -54.77 -40.22 85.88 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 123.104 2.536 . . . . 0.0 111.782 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -57.45 -37.81 73.45 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.572 -0.705 . . . . 0.0 112.156 173.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -68.87 -42.45 77.02 Favored 'General case' 0 N--CA 1.457 -0.088 0 O-C-N 121.386 -0.821 . . . . 0.0 110.037 177.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -54.41 -44.53 72.43 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 171.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.14 -43.98 96.84 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.036 0.535 . . . . 0.0 111.194 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 84.9 mt -54.51 -48.14 70.38 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 171.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.05 -55.43 11.87 Favored Glycine 0 CA--C 1.529 0.939 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 173.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 96.0 mt -56.9 -46.73 81.72 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 117.56 0.68 . . . . 0.0 111.061 177.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 34.8 tp -59.08 -47.52 84.94 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.238 0.615 . . . . 0.0 110.624 -178.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 92.3 mt -58.06 -48.68 83.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 173.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -44.45 -61.56 3.19 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 124.638 1.114 . . . . 0.0 111.029 175.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 68.6 mt -54.67 -62.32 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 124.389 1.076 . . . . 0.0 109.416 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -56.73 -54.58 44.58 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -169.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -62.17 -30.83 71.33 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-O 119.484 -0.293 . . . . 0.0 110.728 -175.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -62.48 -50.63 70.65 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.409 0.55 . . . . 0.0 109.793 -178.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -70.17 -58.24 4.02 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 177.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 88.3 p -61.42 -23.15 65.63 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -174.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.19 -31.19 33.52 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 124.79 1.186 . . . . 0.0 112.493 171.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -76.11 60.71 1.48 Allowed 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.773 1.286 . . . . 0.0 109.784 174.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 161.94 -63.18 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 128.748 2.819 . . . . 0.0 105.407 -169.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.47 -66.44 1.3 Allowed Glycine 0 CA--C 1.527 0.841 0 C-N-CA 124.644 1.116 . . . . 0.0 112.891 169.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -41.63 -56.78 2.49 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.658 1.583 . . . . 0.0 113.301 -169.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 27.5 mtmm -100.05 17.9 19.92 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 118.819 -0.61 . . . . 0.0 111.867 -177.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 20.21 78.05 0.01 OUTLIER 'General case' 0 C--N 1.345 0.393 0 C-N-CA 127.097 2.159 . . . . 0.0 112.9 -168.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 8.5 t -141.33 149.45 41.2 Favored 'General case' 0 N--CA 1.436 -1.143 0 CA-C-N 114.151 -1.386 . . . . 0.0 108.013 -172.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 65.8 mt -92.5 104.7 16.99 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 105.448 -2.056 . . . . 0.0 105.448 169.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.35 170.89 9.42 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 106.851 -1.537 . . . . 0.0 106.851 170.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -41.73 -52.76 3.83 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.186 0.994 . . . . 0.0 113.358 -169.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.37 -55.74 28.08 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 121.063 0.459 . . . . 0.0 110.797 -179.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -60.02 -44.99 94.24 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.992 0.917 . . . . 0.0 110.318 -177.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 8.5 tt -56.81 -56.47 21.17 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.446 1.098 . . . . 0.0 109.686 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -53.57 -50.36 65.74 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.614 0.766 . . . . 0.0 110.141 177.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -53.59 -50.62 65.23 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 122.73 0.412 . . . . 0.0 110.143 178.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.7 tt -55.36 -56.88 15.05 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.107 0.563 . . . . 0.0 110.677 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 36.6 pt -64.52 -30.75 51.09 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 C-N-CA 120.016 -0.674 . . . . 0.0 112.054 -176.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -65.4 -61.89 1.85 Allowed 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 118.513 0.597 . . . . 0.0 110.39 172.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? . . . . . 0 N--CA 1.46 0.065 0 C-N-CA 123.28 0.632 . . . . 0.0 111.258 -176.29 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 62.8 mt . . . . . 0 CA--C 1.531 0.22 0 N-CA-C 110.453 -0.203 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 50.5 mtt -56.35 -52.08 65.91 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 117.815 0.28 . . . . 0.0 110.388 175.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -56.27 -53.55 55.96 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 122.815 0.446 . . . . 0.0 110.846 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -51.64 -50.46 60.28 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 123.3 0.64 . . . . 0.0 110.573 177.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 24.4 tp -61.96 -36.89 82.76 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 122.112 -0.367 . . . . 0.0 111.034 179.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -80.08 18.14 0.89 Allowed 'General case' 0 C--O 1.232 0.132 0 C-N-CA 124.336 1.054 . . . . 0.0 112.977 171.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 78.0 mtm180 69.54 -63.46 0.38 Allowed 'General case' 0 C--N 1.34 0.193 0 C-N-CA 127.499 2.32 . . . . 0.0 110.788 172.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -163.08 69.59 0.23 Allowed 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 125.71 1.604 . . . . 0.0 107.097 175.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 7.3 mptt 50.62 36.08 13.08 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.433 1.093 . . . . 0.0 111.917 -176.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -148.71 57.06 1.04 Allowed 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 118.859 0.754 . . . . 0.0 111.488 -170.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -158.19 -178.07 7.02 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 106.597 -1.631 . . . . 0.0 106.597 169.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -123.47 146.21 48.23 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 103.444 -2.799 . . . . 0.0 103.444 168.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 72.4 t -95.59 113.87 30.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 -175.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -86.54 158.42 19.53 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 120.2 1.364 . . . . 0.0 107.53 -175.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -41.42 -48.02 3.72 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.761 1.022 . . . . 0.0 113.761 -176.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -66.59 -33.45 75.7 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.035 -1.04 . . . . 0.0 111.237 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -68.39 -41.27 80.74 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 120.874 -1.141 . . . . 0.0 110.273 174.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -57.8 -45.34 86.23 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 124.018 0.927 . . . . 0.0 109.944 174.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 5.7 mm -60.44 -50.26 81.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 123.0 0.52 . . . . 0.0 110.274 175.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 28.6 m -56.78 -40.73 76.4 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.766 -0.584 . . . . 0.0 110.046 176.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -59.64 -42.99 94.02 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 124.809 1.244 . . . . 0.0 110.772 174.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.9 tt -56.15 -51.9 66.28 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 174.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.16 -50.68 33.18 Favored Glycine 0 C--N 1.336 0.551 0 C-N-CA 123.411 0.529 . . . . 0.0 112.904 175.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.66 -53.39 55.28 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.48 0.712 . . . . 0.0 109.548 -177.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 56.7 tp -53.35 -51.78 61.33 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 124.964 1.306 . . . . 0.0 110.263 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.74 -49.5 75.04 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.083 0.553 . . . . 0.0 110.762 176.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 49.8 ttp -59.69 -35.05 73.71 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 122.976 0.511 . . . . 0.0 112.03 177.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.4 mp -72.09 -43.91 66.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 C-N-CA 124.76 1.224 . . . . 0.0 110.251 178.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -53.52 -45.85 69.92 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 169.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 68.83 -71.37 0.12 Allowed 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.834 1.654 . . . . 0.0 113.124 168.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -54.67 -36.84 65.03 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.733 0.813 . . . . 0.0 110.575 -176.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.85 -46.21 51.13 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.547 1.139 . . . . 0.0 111.517 173.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 2.7 tm? . . . . . 0 N--CA 1.456 -0.159 0 C-N-CA 123.671 0.788 . . . . 0.0 109.162 -176.448 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.8 p . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -51.07 -44.09 44.4 Favored 'Trans proline' 0 N--CA 1.456 -0.715 0 C-N-CA 122.695 2.264 . . . . 0.0 111.334 169.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 89.0 mt -59.32 -53.91 52.79 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.688 0.795 . . . . 0.0 110.393 177.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -56.03 -43.5 77.88 Favored 'General case' 0 C--O 1.225 -0.199 0 CA-C-N 118.349 0.522 . . . . 0.0 111.287 177.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.76 -43.15 76.44 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 122.754 0.422 . . . . 0.0 110.816 172.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.14 -43.89 81.2 Favored 'General case' 0 CA--C 1.528 0.121 0 O-C-N 121.831 -0.543 . . . . 0.0 109.895 -177.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.0 mt -56.72 -46.81 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 172.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.14 -51.2 31.38 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 124.158 0.885 . . . . 0.0 111.46 174.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.3 tt -57.31 -56.07 26.6 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.414 0.686 . . . . 0.0 110.171 177.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.8 mt -53.87 -50.18 66.86 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 123.658 0.783 . . . . 0.0 111.194 -178.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.1 mm -53.65 -54.2 20.71 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.398 0 C-N-CA 124.397 1.079 . . . . 0.0 108.767 173.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.12 -57.28 9.09 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 123.872 0.749 . . . . 0.0 111.533 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.5 mm -57.11 -47.97 82.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-N 116.975 0.387 . . . . 0.0 110.458 -178.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -54.68 -50.33 68.49 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 122.404 1.097 . . . . 0.0 110.733 176.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -69.02 -16.44 63.71 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 124.848 1.259 . . . . 0.0 111.925 -170.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -48.13 -48.41 34.11 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 119.292 0.951 . . . . 0.0 109.283 169.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -78.61 -56.85 4.1 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.464 -175.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.6 m -57.14 -25.41 58.84 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -178.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.77 -46.96 93.16 Favored Glycine 0 CA--C 1.525 0.699 0 O-C-N 121.579 -0.701 . . . . 0.0 111.514 173.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -71.42 -50.7 29.25 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 175.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -83.45 64.09 7.67 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.07 53.3 3.01 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 123.609 0.623 . . . . 0.0 113.257 -172.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -89.57 -43.5 10.74 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 117.82 0.81 . . . . 0.0 109.679 171.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -168.74 160.89 10.87 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 105.895 -1.891 . . . . 0.0 105.895 -173.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 66.5 t-80 -71.36 69.12 0.55 Allowed 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 170.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.6 t -138.53 165.01 27.94 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 126.412 1.885 . . . . 0.0 106.898 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 75.5 mt -101.61 171.45 7.55 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 125.126 1.37 . . . . 0.0 107.398 167.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.7 p -146.33 169.95 17.79 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 105.607 -1.997 . . . . 0.0 105.607 169.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -52.63 -39.79 62.1 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.557 0.743 . . . . 0.0 112.134 -174.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -57.23 -52.29 65.9 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 121.187 0.518 . . . . 0.0 109.92 175.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -62.58 -41.03 98.69 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 122.999 0.52 . . . . 0.0 110.046 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -54.75 -52.33 62.89 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.27 1.028 . . . . 0.0 109.074 174.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 55.1 tttm -55.76 -48.01 76.0 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.748 0.819 . . . . 0.0 110.702 177.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -58.03 -48.75 79.14 Favored 'General case' 0 CA--C 1.53 0.175 0 O-C-N 121.325 -0.859 . . . . 0.0 110.773 176.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.7 tp -55.54 -54.52 43.01 Favored 'General case' 0 N--CA 1.452 -0.33 0 O-C-N 122.022 -0.424 . . . . 0.0 111.119 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 31.2 pt -60.43 -40.47 84.26 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 C-N-CA 119.673 -0.811 . . . . 0.0 110.744 -179.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -56.34 -44.32 79.91 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 118.593 0.633 . . . . 0.0 110.71 173.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.3 mmtm -63.5 -51.63 64.73 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 119.305 0.957 . . . . 0.0 111.95 177.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 . . . . . 0 CA--C 1.539 0.545 0 CA-C-N 118.905 0.775 . . . . 0.0 110.231 175.687 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 . . . . . 0 N--CA 1.449 -0.518 0 CA-C-O 118.879 -0.582 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.76 -42.31 93.94 Favored 'Isoleucine or valine' 0 C--N 1.343 0.292 0 C-N-CA 118.668 -1.213 . . . . 0.0 111.145 -175.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.1 p -59.11 -40.46 80.96 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 CA-C-N 118.926 0.784 . . . . 0.0 110.759 176.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -62.4 -48.82 78.02 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.067 -0.396 . . . . 0.0 110.259 177.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.31 -46.94 88.2 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 122.129 -0.357 . . . . 0.0 110.496 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 45.9 mtt -52.58 -56.07 17.86 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 122.843 0.457 . . . . 0.0 110.016 173.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -52.56 -52.68 53.84 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 122.801 0.44 . . . . 0.0 110.905 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -51.67 -48.15 63.53 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.255 1.022 . . . . 0.0 111.557 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 77.6 mt -72.22 -39.18 68.71 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 117.687 0.222 . . . . 0.0 111.558 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -66.75 -50.88 61.33 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 124.767 1.227 . . . . 0.0 110.71 -174.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 64.89 -68.4 0.11 Allowed 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 126.328 1.851 . . . . 0.0 111.997 178.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -156.63 5.63 0.17 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.957 1.303 . . . . 0.0 112.123 -178.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -66.28 -38.13 87.08 Favored 'General case' 0 C--N 1.342 0.263 0 CA-C-N 119.36 0.982 . . . . 0.0 109.902 -178.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 24.7 -64.62 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.363 1 C-N-CA 132.467 4.307 . . . . 0.0 116.026 167.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.426 ' H ' ' CD ' ' A' ' 66' ' ' GLN . 2.0 mp0 -39.04 -47.32 1.49 Allowed 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 125.816 1.647 . . . . 0.0 110.463 170.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -128.28 135.51 49.73 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 125.402 1.481 . . . . 0.0 107.173 170.033 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 59.4 t -120.82 121.8 66.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 103.75 -2.685 . . . . 0.0 103.75 168.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -92.22 151.89 20.12 Favored 'General case' 0 N--CA 1.457 -0.093 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -166.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -50.61 -41.77 55.18 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.286 0.634 . . . . 0.0 111.076 173.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.1 tp60 -56.96 -38.16 72.58 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.377 -0.827 . . . . 0.0 111.655 175.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -64.14 -42.14 96.91 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 177.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -58.8 -45.87 88.89 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 122.161 -0.337 . . . . 0.0 111.286 176.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.83 -47.25 89.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 119.33 -0.948 . . . . 0.0 110.911 179.039 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.8 p -62.16 -37.49 85.44 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 121.762 -0.586 . . . . 0.0 110.58 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -55.23 -53.6 53.96 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.563 1.145 . . . . 0.0 110.607 169.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.5 tp -51.37 -48.08 62.62 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.047 0.539 . . . . 0.0 109.932 175.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.83 -57.11 11.42 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.372 -0.691 . . . . 0.0 111.372 173.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.22 -47.43 72.16 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.175 0.99 . . . . 0.0 110.943 -178.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.4 mp -54.16 -56.77 15.0 Favored 'General case' 0 C--O 1.228 -0.068 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 175.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.01 -40.64 77.03 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 111.503 0.186 . . . . 0.0 111.503 -178.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 47.8 mtt -61.04 -49.44 77.37 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.233 0.613 . . . . 0.0 110.726 175.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 17.7 mm -54.14 -45.55 66.3 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 O-C-N 121.321 -0.862 . . . . 0.0 109.148 174.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -77.84 25.05 0.21 Allowed 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 175.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -51.61 -35.92 43.6 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 119.874 1.215 . . . . 0.0 110.903 171.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -46.07 -48.34 17.02 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.133 0.973 . . . . 0.0 111.854 170.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -78.36 -37.07 45.14 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.656 0.782 . . . . 0.0 110.236 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 53.1 tp . . . . . 0 C--O 1.227 -0.129 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 175.165 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.535 0.367 0 CA-C-O 117.905 -1.045 . . . . 0.0 109.599 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_exo -43.98 -53.4 4.66 Favored 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 123.52 2.814 . . . . 0.0 113.828 -175.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 48.0 mt -63.26 -40.53 97.66 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.923 -0.485 . . . . 0.0 111.082 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -62.35 -43.05 99.73 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 118.378 0.535 . . . . 0.0 110.423 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.2 -40.68 90.91 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 122.921 0.488 . . . . 0.0 110.369 173.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.06 -49.27 75.2 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.5 mp -51.05 -51.98 19.53 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.33 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 170.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.75 -54.28 11.7 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 124.141 0.877 . . . . 0.0 111.666 178.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 62.6 tp -60.23 -57.0 14.7 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 122.253 -0.557 . . . . 0.0 110.477 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 8.0 tt -58.44 -50.66 72.91 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 122.971 0.508 . . . . 0.0 111.234 -173.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 4.6 tt -64.38 -39.38 85.35 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 C-N-CA 123.799 0.84 . . . . 0.0 109.327 178.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.91 -45.06 92.27 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 123.843 0.735 . . . . 0.0 111.776 174.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 92.6 mt -62.83 -58.11 9.03 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 175.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -58.33 -34.61 70.81 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 122.428 0.291 . . . . 0.0 111.544 -173.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -48.21 -48.51 34.89 Favored 'General case' 0 N--CA 1.457 -0.086 0 C-N-CA 125.479 1.511 . . . . 0.0 111.688 176.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -43.36 -56.78 3.36 Favored 'General case' 0 C--N 1.337 0.06 0 C-N-CA 124.11 0.964 . . . . 0.0 111.529 -168.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -84.63 -80.65 0.2 Allowed 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.078 173.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -52.47 -32.22 38.69 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 126.967 2.107 . . . . 0.0 115.019 -168.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.41 -63.47 1.57 Allowed Glycine 0 C--N 1.334 0.433 0 N-CA-C 110.149 -1.181 . . . . 0.0 110.149 -176.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -56.63 -42.52 78.98 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.383 0.673 . . . . 0.0 110.938 -177.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -74.85 -12.43 60.38 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 178.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.89 -71.91 0.9 Allowed Glycine 0 CA--C 1.526 0.721 0 C-N-CA 124.465 1.031 . . . . 0.0 111.296 177.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.6 p30 41.62 -108.08 0.09 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.379 1.872 . . . . 0.0 111.003 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -138.39 37.95 2.27 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 169.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 44.92 61.87 2.33 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 122.895 1.331 . . . . 0.0 111.695 -170.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 3.2 t -144.71 156.69 44.21 Favored 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 127.33 2.252 . . . . 0.0 105.82 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 5.3 mp -92.7 107.35 19.15 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 103.998 -2.593 . . . . 0.0 103.998 166.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 67.0 p -89.98 162.17 15.52 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 -179.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -42.78 -46.17 5.09 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -173.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -62.49 -62.12 1.97 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 122.993 0.517 . . . . 0.0 110.426 -178.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -65.38 -29.36 70.06 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 121.56 -0.712 . . . . 0.0 111.091 -175.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 9.3 tt -62.41 -48.02 81.55 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.413 0.685 . . . . 0.0 109.532 170.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -55.58 -46.3 77.27 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.95 -0.468 . . . . 0.0 110.107 175.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -54.78 -52.46 62.55 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.619 -0.675 . . . . 0.0 110.154 174.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.2 tt -50.56 -61.42 2.2 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 118.859 -0.591 . . . . 0.0 110.22 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 26.4 pt -58.65 -41.22 81.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-N 118.669 0.668 . . . . 0.0 110.749 -174.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -55.93 -54.52 43.76 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.581 0.628 . . . . 0.0 111.22 175.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? . . . . . 0 CA--C 1.534 0.364 0 CA-C-N 118.652 0.66 . . . . 0.0 110.585 -179.819 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 22.7 tp . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 58.5 mtt -62.84 -41.61 99.42 Favored 'General case' 0 N--CA 1.453 -0.283 0 O-C-N 122.147 -0.346 . . . . 0.0 110.889 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -59.16 -50.37 74.28 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 118.663 0.665 . . . . 0.0 110.526 174.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -53.07 -45.84 68.31 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.886 0.874 . . . . 0.0 111.295 176.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.0 tt -59.48 -58.38 8.87 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 174.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -56.61 -43.87 80.59 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 125.493 1.517 . . . . 0.0 111.847 -171.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 72.42 -58.5 0.59 Allowed 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 125.959 1.704 . . . . 0.0 111.178 -177.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -78.14 20.46 0.38 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.878 0.871 . . . . 0.0 112.517 -177.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 93.2 mttt 67.68 -59.98 0.4 Allowed 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 126.436 1.894 . . . . 0.0 112.938 -173.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -121.53 136.22 54.97 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 126.385 1.874 . . . . 0.0 107.856 170.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -164.43 174.65 10.76 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 126.787 2.035 . . . . 0.0 105.765 -176.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -92.06 94.09 9.07 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 177.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 78.1 t -89.83 103.06 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 N-CA-C 105.277 -2.12 . . . . 0.0 105.277 -171.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -92.85 149.31 21.35 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 123.523 0.729 . . . . 0.0 110.156 -168.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -54.54 -38.69 66.88 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -173.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -45.14 84.18 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.491 -0.756 . . . . 0.0 109.815 175.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -66.12 -43.24 87.76 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 121.842 -0.536 . . . . 0.0 109.6 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -50.86 -52.47 41.35 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.078 0.551 . . . . 0.0 110.254 174.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 17.1 mm -61.0 -50.62 79.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 123.248 0.619 . . . . 0.0 111.522 178.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 27.1 m -56.6 -45.44 81.41 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 121.426 0.631 . . . . 0.0 109.429 -179.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -61.57 -41.39 97.33 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.43 1.092 . . . . 0.0 110.951 176.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 3.6 tt -54.12 -53.2 56.52 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 174.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.56 -54.17 31.67 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 177.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.53 -49.49 74.63 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 117.712 0.756 . . . . 0.0 111.383 -179.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 58.9 tp -58.26 -48.33 80.79 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.272 1.029 . . . . 0.0 109.942 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.84 -38.73 91.92 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.703 0.401 . . . . 0.0 111.336 178.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 16.7 tmm? -59.52 -48.26 82.34 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 121.747 -0.595 . . . . 0.0 109.573 173.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 88.3 mt -56.21 -42.7 74.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-N 118.664 0.665 . . . . 0.0 110.018 173.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -58.67 -7.28 0.92 Allowed 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.067 0.765 . . . . 0.0 113.067 175.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -50.4 -35.69 29.43 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 120.64 1.564 . . . . 0.0 110.122 167.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -57.76 -40.11 78.98 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 122.212 -0.305 . . . . 0.0 111.72 172.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.41 -43.94 68.97 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.038 0.535 . . . . 0.0 110.55 177.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 7.1 mp . . . . . 0 CA--C 1.536 0.415 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 174.092 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.1 m . . . . . 0 CA--C 1.535 0.374 0 CA-C-O 118.271 -0.871 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -38.05 -53.32 1.63 Allowed 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 124.593 3.529 . . . . 0.0 115.439 -170.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -57.24 -50.49 72.71 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 117.992 0.36 . . . . 0.0 111.475 -179.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -68.28 -33.2 73.91 Favored 'General case' 0 CA--C 1.517 -0.308 0 O-C-N 121.911 -0.493 . . . . 0.0 110.357 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -65.29 -40.52 93.95 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 117.817 0.28 . . . . 0.0 110.76 177.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.21 -49.19 17.81 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 124.167 0.987 . . . . 0.0 109.931 -176.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.1 mt -52.18 -48.18 43.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 169.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.07 -49.81 54.09 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 124.647 1.118 . . . . 0.0 111.176 176.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 64.7 tp -55.43 -54.08 48.2 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 117.765 0.782 . . . . 0.0 110.48 175.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 tp -52.67 -55.89 19.34 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 121.613 0.721 . . . . 0.0 110.596 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 67.2 mt -53.55 -47.1 60.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 C-N-CA 123.719 0.808 . . . . 0.0 109.353 178.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.56 -56.66 23.43 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 124.237 0.922 . . . . 0.0 111.593 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.4 pt -62.18 -35.49 69.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 O-C-N 121.805 -0.821 . . . . 0.0 111.012 -177.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -62.04 -55.42 29.32 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.304 0.502 . . . . 0.0 109.872 172.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -52.95 -32.26 44.99 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 125.969 1.707 . . . . 0.0 111.675 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -50.77 -46.92 59.69 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.485 0.584 . . . . 0.0 110.484 175.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -80.25 -53.71 6.4 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 123.715 0.806 . . . . 0.0 109.595 175.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.2 m -74.96 61.85 1.08 Allowed 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 124.655 1.182 . . . . 0.0 110.015 175.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -170.45 -58.58 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 107.792 -2.123 . . . . 0.0 107.792 -178.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.4 pttt -68.45 -36.07 78.48 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 117.01 0.405 . . . . 0.0 111.099 174.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -127.32 -60.22 1.2 Allowed 'General case' 0 C--N 1.341 0.215 0 C-N-CA 123.277 0.631 . . . . 0.0 111.189 -177.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.45 147.26 40.31 Favored Glycine 0 CA--C 1.531 1.072 0 N-CA-C 110.07 -1.212 . . . . 0.0 110.07 -175.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -78.46 38.31 0.3 Allowed 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.34 -1.094 . . . . 0.0 113.601 -169.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp 68.15 -49.17 0.54 Allowed 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 126.086 1.755 . . . . 0.0 112.074 -169.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 58.7 m80 -79.75 -18.26 51.54 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 125.499 1.52 . . . . 0.0 112.496 -173.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.4 p -141.13 168.6 19.4 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 119.18 0.9 . . . . 0.0 109.225 178.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.3 tt -131.46 118.76 20.64 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 127.032 2.133 . . . . 0.0 106.486 175.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.8 m -93.74 158.96 15.42 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.354 0.661 . . . . 0.0 111.963 -171.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -44.79 -47.31 10.9 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.402 1.081 . . . . 0.0 112.895 -170.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -51.61 -44.41 62.85 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.197 0.599 . . . . 0.0 111.278 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -64.12 -38.87 92.61 Favored 'General case' 0 N--CA 1.453 -0.3 0 O-C-N 122.028 -0.42 . . . . 0.0 110.71 177.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.5 tp -64.42 -46.54 82.79 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 179.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -55.92 -52.93 62.37 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.154 0.582 . . . . 0.0 109.861 173.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 67.5 tt0 -51.72 -46.05 63.81 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.009 0.524 . . . . 0.0 110.492 176.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.5 tp -56.99 -59.13 5.51 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 118.833 -0.603 . . . . 0.0 110.288 178.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 46.5 pt -58.85 -36.09 59.5 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 119.16 0.891 . . . . 0.0 111.606 -176.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -61.61 -63.01 1.41 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.062 0.545 . . . . 0.0 110.666 174.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -58.48 -41.63 85.72 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.187 0.595 . . . . 0.0 111.375 -177.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 . . . . . 0 CA--C 1.541 0.632 0 C-N-CA 124.123 0.969 . . . . 0.0 111.371 176.193 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 . . . . . 0 N--CA 1.45 -0.425 0 CA-C-O 117.766 -1.111 . . . . 0.0 111.499 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 81.6 mt -55.88 -52.55 47.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-N 120.803 1.638 . . . . 0.0 109.571 176.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 76.6 t -59.69 -47.28 91.75 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 O-C-N 122.28 -0.262 . . . . 0.0 110.553 179.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -55.53 -47.91 75.52 Favored 'General case' 0 N--CA 1.455 -0.175 0 O-C-N 122.26 -0.275 . . . . 0.0 110.511 179.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 56.6 mt -61.25 -45.17 95.61 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 122.976 0.51 . . . . 0.0 110.313 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 41.5 ttp -56.79 -50.05 73.48 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.147 0.431 . . . . 0.0 110.683 176.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -57.71 -50.79 72.04 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.156 0.582 . . . . 0.0 110.6 178.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -55.31 -45.24 76.32 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.799 1.24 . . . . 0.0 110.671 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.4 tt -57.78 -58.22 9.33 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 173.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -78.94 58.8 2.47 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -176.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 73.7 mtt85 -68.66 -30.95 69.75 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.317 -0.864 . . . . 0.0 108.842 166.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -52.03 -55.28 21.58 Favored 'General case' 0 C--N 1.34 0.162 0 C-N-CA 124.342 1.057 . . . . 0.0 112.332 -175.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 46.0 mttm -100.46 -55.25 2.65 Favored 'General case' 0 C--O 1.232 0.133 0 C-N-CA 122.773 0.429 . . . . 0.0 109.994 -177.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.8 t70 65.15 -64.05 0.18 Allowed 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 128.053 2.541 . . . . 0.0 112.625 175.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -47.36 -37.24 10.82 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 126.761 2.024 . . . . 0.0 111.514 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -142.93 142.33 31.67 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 169.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 57.0 t -93.57 135.71 27.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 N-CA-C 105.566 -2.013 . . . . 0.0 105.566 175.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -90.99 141.24 29.06 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 -179.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -43.8 -45.94 7.54 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.25 1.02 . . . . 0.0 112.277 178.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -58.61 -39.33 80.13 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.349 -0.845 . . . . 0.0 111.279 177.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -68.05 -42.48 80.47 Favored 'General case' 0 C--O 1.224 -0.283 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 176.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -55.37 -50.99 68.25 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 118.335 0.516 . . . . 0.0 110.033 175.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 24.7 mm -61.04 -52.79 57.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 O-C-N 121.875 -0.516 . . . . 0.0 111.402 177.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.9 m -62.87 -33.62 75.66 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.051 -1.03 . . . . 0.0 110.524 -177.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -60.99 -45.86 93.12 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.785 0.834 . . . . 0.0 110.555 171.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.7 tt -51.43 -50.64 59.33 Favored 'General case' 0 C--N 1.342 0.256 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 173.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -46.05 -65.69 1.95 Allowed Glycine 0 CA--C 1.53 1.027 0 C-N-CA 123.695 0.664 . . . . 0.0 112.375 172.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.07 -46.25 71.96 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.545 1.138 . . . . 0.0 112.017 -175.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.9 tp -58.97 -55.82 30.25 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 177.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.63 -37.77 71.19 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 122.904 0.481 . . . . 0.0 112.024 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 80.3 mtp -56.87 -15.25 4.44 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 178.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 31.1 mm -58.16 -31.7 42.56 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 CA-C-N 119.535 1.061 . . . . 0.0 110.219 169.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 51.05 51.99 15.91 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 125.624 1.569 . . . . 0.0 112.03 175.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -41.86 107.67 0.08 Allowed 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.579 1.552 . . . . 0.0 111.485 175.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 56.3 tt0 58.87 40.67 22.45 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.644 0.778 . . . . 0.0 110.553 177.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 51.01 54.04 11.97 Favored 'General case' 0 C--N 1.339 0.151 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -171.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 78.8 mt . . . . . 0 CA--C 1.531 0.232 0 C-N-CA 124.831 1.252 . . . . 0.0 110.848 -172.078 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 27.6 m . . . . . 0 CA--C 1.532 0.251 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_exo -46.37 -53.69 5.67 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 123.563 2.842 . . . . 0.0 113.601 -176.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.8 -45.21 82.35 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 122.142 -0.349 . . . . 0.0 111.446 178.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -62.88 -46.99 85.25 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.205 0.602 . . . . 0.0 110.716 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -57.14 -45.1 83.84 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 174.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.81 -54.36 19.68 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 122.216 -0.303 . . . . 0.0 110.708 -172.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 11.9 tt -58.55 -45.82 90.17 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 177.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.51 -53.89 22.99 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 175.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -56.59 -62.95 1.38 Allowed 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 117.218 0.509 . . . . 0.0 110.751 178.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 pp -62.15 -39.44 92.62 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 119.531 1.059 . . . . 0.0 112.043 -170.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 25.7 mt -65.42 -43.86 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-O 118.986 -0.531 . . . . 0.0 109.652 175.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.99 -53.69 40.55 Favored Glycine 0 CA--C 1.53 1.0 0 CA-C-N 119.279 0.945 . . . . 0.0 111.174 176.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 28.6 mm -54.38 -38.33 40.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 124.192 0.997 . . . . 0.0 110.825 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -66.05 -63.31 1.11 Allowed 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.666 0.745 . . . . 0.0 111.587 171.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -63.52 -22.01 66.65 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 124.869 1.268 . . . . 0.0 112.512 -169.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -60.8 -36.98 80.42 Favored 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 119.804 -0.758 . . . . 0.0 109.662 176.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -81.74 -67.63 0.76 Allowed 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 168.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 49.2 m -77.55 58.84 1.82 Allowed 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.821 2.048 . . . . 0.0 111.838 -168.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -177.94 -65.26 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.451 0 N-CA-C 108.207 -1.957 . . . . 0.0 108.207 -172.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -64.84 -38.06 89.71 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 176.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -74.39 67.13 1.41 Allowed 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 118.143 0.429 . . . . 0.0 110.062 174.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.75 48.66 74.82 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 124.715 1.15 . . . . 0.0 113.306 170.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 21.4 t70 71.76 -55.22 0.67 Allowed 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 126.56 1.944 . . . . 0.0 113.172 175.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -3.99 91.43 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 128.15 2.58 . . . . 0.0 113.899 177.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -76.43 50.23 0.64 Allowed 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 121.664 0.745 . . . . 0.0 110.233 174.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 5.3 t -147.78 145.72 28.9 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 126.27 1.828 . . . . 0.0 107.888 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 59.0 mt -93.24 97.3 10.54 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 105.328 -2.101 . . . . 0.0 105.328 168.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.3 m -92.62 171.82 8.76 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 176.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -43.71 -42.45 5.39 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.22 1.008 . . . . 0.0 111.702 178.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -53.91 -59.8 4.16 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.816 0.846 . . . . 0.0 111.439 173.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 30.1 mp0 -58.48 -42.81 88.39 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.695 -0.628 . . . . 0.0 109.816 -178.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 76.7 mt -58.19 -43.42 87.56 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 119.489 -0.291 . . . . 0.0 110.774 175.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -53.86 -55.01 30.65 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 174.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -56.2 -44.74 79.75 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 117.868 0.304 . . . . 0.0 111.785 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 41.0 tp -56.18 -63.89 1.04 Allowed 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 119.487 -0.292 . . . . 0.0 110.494 175.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 2.3 pp -62.31 -37.92 79.84 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-N 118.572 0.624 . . . . 0.0 110.965 -172.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -50.46 -49.98 53.64 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 124.272 1.029 . . . . 0.0 109.995 170.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp . . . . . 0 N--CA 1.453 -0.294 0 CA-C-N 117.871 0.305 . . . . 0.0 111.814 -179.838 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 46.5 mt . . . . . 0 N--CA 1.456 -0.144 0 N-CA-C 110.453 -0.202 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 34.9 ttp -57.9 -46.04 85.53 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 121.154 0.502 . . . . 0.0 110.58 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -56.53 -56.96 14.79 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 123.383 0.673 . . . . 0.0 110.434 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -62.76 -42.3 99.62 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.982 0.81 . . . . 0.0 110.914 -177.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 64.4 tp -51.57 -46.12 63.35 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 123.912 0.885 . . . . 0.0 110.255 177.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -72.22 -62.57 1.39 Allowed 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 121.235 0.541 . . . . 0.0 111.186 176.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 50.9 tpt85 -53.72 -23.33 11.29 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 126.359 1.864 . . . . 0.0 112.54 -172.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -32.18 -45.59 0.11 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.608 1.563 . . . . 0.0 112.266 168.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -144.38 -166.98 2.51 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 168.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -74.89 58.93 0.87 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.986 1.315 . . . . 0.0 110.308 174.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -94.99 178.08 5.68 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-O 122.821 1.296 . . . . 0.0 110.277 -174.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -140.0 143.34 36.41 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 103.798 -2.668 . . . . 0.0 103.798 168.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 46.7 t -93.02 117.61 36.82 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.084 0 N-CA-C 106.408 -1.701 . . . . 0.0 106.408 -178.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -87.79 157.31 19.06 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.045 -1.034 . . . . 0.0 108.283 -170.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -40.4 -51.58 2.82 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 176.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -65.37 -28.37 69.23 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 120.927 -1.108 . . . . 0.0 111.987 179.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -69.68 -38.78 77.17 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 118.83 0.741 . . . . 0.0 110.2 171.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -59.03 -48.79 80.31 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.323 0.965 . . . . 0.0 109.439 174.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 1.4 mp -60.87 -54.04 40.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 O-C-N 121.84 -0.538 . . . . 0.0 111.619 177.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 31.7 p -65.37 -30.0 70.78 Favored 'General case' 0 CA--C 1.533 0.327 0 O-C-N 120.313 -1.492 . . . . 0.0 110.913 -179.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -61.61 -39.66 92.02 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.679 0.672 . . . . 0.0 110.222 169.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 3.6 tt -54.39 -50.52 67.35 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 171.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -46.34 -54.94 8.15 Favored Glycine 0 CA--C 1.531 1.073 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.692 170.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.61 -48.99 73.99 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.294 1.038 . . . . 0.0 111.402 -178.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 94.1 mt -54.54 -45.61 73.45 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 118.508 0.594 . . . . 0.0 111.553 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.92 -47.59 79.95 Favored 'General case' 0 C--O 1.226 -0.163 0 O-C-N 121.879 -0.513 . . . . 0.0 111.336 171.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.62 -40.42 83.28 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 118.806 0.73 . . . . 0.0 112.158 -177.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 12.7 pt -80.57 0.88 3.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-N 118.643 0.656 . . . . 0.0 112.454 174.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 70.47 52.09 0.34 Allowed 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 125.093 1.357 . . . . 0.0 113.277 171.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -50.67 100.93 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.136 0.974 . . . . 0.0 109.226 168.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 46.42 43.53 12.01 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 125.109 1.364 . . . . 0.0 112.034 -171.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 51.86 47.57 24.52 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.393 0.677 . . . . 0.0 111.16 -178.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 10.2 mp . . . . . 0 CA--C 1.533 0.299 0 C-N-CA 124.437 1.095 . . . . 0.0 109.113 -171.352 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 p . . . . . 0 CA--C 1.532 0.279 0 N-CA-C 111.147 0.055 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -56.8 -38.68 95.23 Favored 'Trans proline' 0 N--CA 1.455 -0.765 0 C-N-CA 122.035 1.823 . . . . 0.0 109.733 168.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.7 tp -55.65 -57.64 11.15 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 123.856 0.863 . . . . 0.0 110.411 173.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -55.59 -44.13 76.68 Favored 'General case' 0 C--O 1.226 -0.142 0 O-C-N 122.011 -0.431 . . . . 0.0 110.967 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.53 -43.12 68.11 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 122.535 0.334 . . . . 0.0 110.914 173.196 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.04 -43.87 86.26 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.308 0.504 . . . . 0.0 110.036 -178.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 83.2 mt -55.83 -53.66 35.22 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 173.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.41 -51.93 35.0 Favored Glycine 0 CA--C 1.528 0.88 0 C-N-CA 124.722 1.153 . . . . 0.0 111.359 178.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -53.39 -58.11 8.27 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.789 0.836 . . . . 0.0 109.089 176.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.1 tp -56.05 -55.28 34.75 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.582 0.353 . . . . 0.0 111.455 -176.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 pp -65.17 -34.74 72.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-O 118.94 -0.552 . . . . 0.0 110.558 -176.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.56 -53.32 47.0 Favored Glycine 0 CA--C 1.529 0.908 0 N-CA-C 110.62 -0.992 . . . . 0.0 110.62 172.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.4 mp -53.55 -47.86 59.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 O-C-N 122.297 -0.531 . . . . 0.0 109.747 174.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -61.56 -51.97 66.37 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.753 0.706 . . . . 0.0 111.1 -177.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -44.1 -51.67 7.8 Favored 'General case' 0 CA--C 1.528 0.096 0 C-N-CA 125.181 1.393 . . . . 0.0 110.075 172.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -66.46 -57.98 6.22 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -174.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -56.84 -40.28 75.77 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.1 0.96 . . . . 0.0 111.232 -173.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 74.5 m -49.78 -23.13 1.67 Allowed 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 114.325 1.231 . . . . 0.0 114.325 173.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -26.5 -53.57 0.07 OUTLIER Glycine 0 CA--C 1.535 1.307 0 C-N-CA 126.751 2.119 . . . . 0.0 116.426 -172.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -59.34 -37.97 79.19 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 117.998 0.899 . . . . 0.0 111.855 -177.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -81.99 -41.62 20.49 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.245 1.018 . . . . 0.0 109.567 173.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.98 -84.45 0.11 Allowed Glycine 0 CA--C 1.525 0.692 0 C-N-CA 125.23 1.395 . . . . 0.0 112.576 169.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -66.41 -67.93 0.41 Allowed 'General case' 0 N--CA 1.457 -0.092 0 C-N-CA 123.484 0.713 . . . . 0.0 110.002 -170.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -80.12 65.24 5.2 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 176.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -52.71 93.77 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 126.745 2.018 . . . . 0.0 112.024 -175.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.9 p -138.51 168.29 20.09 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 126.182 1.793 . . . . 0.0 107.078 -178.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 46.5 tp -93.19 83.04 4.57 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 105.873 -1.899 . . . . 0.0 105.873 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.7 t -94.4 171.65 8.68 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 122.007 0.908 . . . . 0.0 110.629 -177.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -52.67 -35.76 55.8 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.569 1.147 . . . . 0.0 110.66 178.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.3 mtmt -55.16 -53.86 50.65 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.113 0.565 . . . . 0.0 110.958 172.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.7 mp0 -58.74 -48.42 81.23 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 178.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 59.2 mt -56.17 -49.69 73.31 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.481 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -54.97 -52.62 62.51 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.208 0.603 . . . . 0.0 109.993 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -58.87 -39.51 81.59 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.864 177.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.1 tp -63.49 -57.59 9.73 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 121.636 -0.665 . . . . 0.0 110.101 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.2 pt -56.46 -46.11 82.11 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 118.156 0.435 . . . . 0.0 110.346 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -50.33 -56.34 11.7 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.978 0.911 . . . . 0.0 110.486 175.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -75.4 -38.86 59.67 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -169.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 . . . . . 0 CA--C 1.534 0.363 0 CA-C-N 119.516 1.053 . . . . 0.0 110.148 173.199 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 . . . . . 0 CA--C 1.536 0.414 0 CA-C-O 117.905 -1.045 . . . . 0.0 111.923 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.7 pt -61.13 -46.43 96.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 117.188 -1.805 . . . . 0.0 110.487 -176.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 38.2 t -51.69 -53.52 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 C-N-CA 125.528 1.531 . . . . 0.0 109.751 173.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -55.09 -48.76 73.12 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 118.742 0.701 . . . . 0.0 110.661 -178.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 62.2 mt -63.1 -52.55 62.19 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 117.828 0.286 . . . . 0.0 110.637 -178.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 70.3 mtp -57.31 -46.97 82.68 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.487 0.715 . . . . 0.0 110.179 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -61.2 -49.5 76.92 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.819 1.247 . . . . 0.0 110.793 178.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -53.05 -54.37 36.41 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 118.397 0.544 . . . . 0.0 110.326 175.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 73.8 mt -55.65 -47.59 76.41 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 122.244 0.217 . . . . 0.0 110.679 178.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -62.78 -44.26 96.64 Favored 'General case' 0 C--O 1.224 -0.257 0 C-N-CA 123.308 0.643 . . . . 0.0 112.354 -178.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -72.55 -30.5 64.49 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 122.649 0.38 . . . . 0.0 110.018 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -64.83 -61.53 2.12 Favored 'General case' 0 N--CA 1.458 -0.069 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 173.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -82.66 64.44 7.29 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 175.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -57.06 66.59 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 127.292 2.237 . . . . 0.0 115.658 -167.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -148.05 -92.45 0.08 Allowed 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 126.574 1.949 . . . . 0.0 107.078 175.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -146.78 160.04 42.75 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 127.422 2.289 . . . . 0.0 106.022 173.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 96.0 t -93.91 133.16 35.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 172.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -90.28 153.12 20.7 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 -175.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -44.23 -50.3 8.89 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -59.66 -38.16 80.71 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 121.61 -0.681 . . . . 0.0 110.249 -178.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -67.35 -41.04 85.83 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -59.06 -43.5 91.74 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 176.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.3 mp -59.88 -47.35 91.86 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 O-C-N 121.915 -0.49 . . . . 0.0 111.408 174.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.3 p -61.75 -37.46 84.33 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 120.603 -1.31 . . . . 0.0 111.115 177.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -59.66 -44.0 93.74 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.124 0.42 . . . . 0.0 110.522 171.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 tt -53.06 -51.91 60.23 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 176.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -51.8 -56.57 15.47 Favored Glycine 0 CA--C 1.526 0.755 0 CA-C-O 119.752 -0.471 . . . . 0.0 112.357 173.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.47 -49.94 66.38 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.044 0.937 . . . . 0.0 111.553 -176.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.1 tp -64.31 -55.77 19.07 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 121.891 0.853 . . . . 0.0 109.74 177.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.92 -33.83 76.17 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 118.872 -0.585 . . . . 0.0 112.239 -169.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 22.4 ptp -64.02 -45.89 86.9 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 119.654 1.116 . . . . 0.0 111.398 -178.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 6.0 tp -64.23 -47.98 87.53 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 176.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -50.97 -48.31 61.12 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.688 1.195 . . . . 0.0 110.979 179.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.68 63.15 1.11 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.424 1.489 . . . . 0.0 109.252 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 53.44 33.58 16.28 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.419 1.088 . . . . 0.0 112.951 173.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 50.84 32.1 6.83 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.56 0.618 . . . . 0.0 112.365 -173.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 79.7 mt . . . . . 0 CA--C 1.533 0.309 0 C-N-CA 125.305 1.442 . . . . 0.0 111.832 -170.128 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 33.8 p . . . . . 0 CA--C 1.542 0.667 0 N-CA-C 115.319 1.6 . . . . 0.0 115.319 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -47.84 -42.93 30.43 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.641 2.894 . . . . 0.0 112.819 175.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 86.3 mt -52.31 -50.57 61.95 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 122.789 0.436 . . . . 0.0 110.213 173.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -65.29 -36.88 85.42 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 118.914 -0.565 . . . . 0.0 111.257 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -55.63 -45.72 77.53 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.745 0.702 . . . . 0.0 109.723 171.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.97 -51.14 70.95 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 122.214 -0.304 . . . . 0.0 110.825 178.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 39.8 mm -50.87 -54.03 11.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 175.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.72 -55.39 11.29 Favored Glycine 0 CA--C 1.523 0.569 0 C-N-CA 126.066 1.794 . . . . 0.0 111.491 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 66.5 mt -53.35 -54.63 33.8 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 117.043 0.422 . . . . 0.0 109.979 176.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 44.9 mt -57.88 -52.64 64.65 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 119.444 -0.313 . . . . 0.0 111.758 -175.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 21.5 pt -64.8 -43.19 96.44 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.218 0 CA-C-N 118.18 0.445 . . . . 0.0 110.441 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.59 -56.1 26.39 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 110.581 -1.008 . . . . 0.0 110.581 178.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 81.3 mt -55.19 -47.66 77.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 C-N-CA 123.397 0.679 . . . . 0.0 109.584 179.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -56.56 -56.82 16.45 Favored 'General case' 0 N--CA 1.457 -0.109 0 CA-C-O 121.111 0.481 . . . . 0.0 110.862 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -58.83 -30.98 68.06 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.821 1.248 . . . . 0.0 111.195 -178.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -57.13 -47.13 81.87 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 118.5 0.591 . . . . 0.0 110.445 -178.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -80.48 -56.64 4.04 Favored 'General case' 0 N--CA 1.457 -0.098 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 173.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 15.4 t -55.33 -27.61 48.28 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.591 0.756 . . . . 0.0 112.641 -171.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -45.45 -34.25 4.77 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 124.552 1.072 . . . . 0.0 113.347 170.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -59.99 -40.39 89.04 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.441 1.121 . . . . 0.0 111.399 175.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -76.91 -31.61 56.82 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.406 0.682 . . . . 0.0 109.427 174.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.69 -85.15 0.2 Allowed Glycine 0 C--N 1.335 0.497 0 C-N-CA 125.359 1.457 . . . . 0.0 111.589 168.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -78.29 -48.2 16.21 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.635 1.174 . . . . 0.0 109.654 -179.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -80.06 60.05 3.47 Favored 'General case' 0 CA--C 1.528 0.105 0 N-CA-C 107.321 -1.362 . . . . 0.0 107.321 174.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -66.88 75.45 0.11 Allowed 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 126.002 1.721 . . . . 0.0 112.336 -166.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 50.2 p -132.59 170.91 14.51 Favored 'General case' 0 N--CA 1.437 -1.077 0 C-N-CA 128.008 2.523 . . . . 0.0 106.642 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 97.0 mt -99.97 173.15 6.8 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 125.182 1.393 . . . . 0.0 107.346 168.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 65.6 p -145.93 162.3 38.08 Favored 'General case' 0 N--CA 1.453 -0.295 0 O-C-N 121.321 -0.862 . . . . 0.0 109.741 177.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -53.02 -35.65 59.66 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 169.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -58.42 -57.58 12.32 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.454 0.702 . . . . 0.0 109.812 175.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -57.22 -42.11 80.75 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.944 -0.472 . . . . 0.0 111.508 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 8.4 mp -57.61 -46.55 83.95 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.727 -0.608 . . . . 0.0 110.543 173.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -58.59 -41.12 85.04 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.093 -1.004 . . . . 0.0 111.085 173.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -54.83 -43.18 72.78 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 119.586 1.084 . . . . 0.0 110.742 173.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 56.2 tp -56.64 -51.74 67.54 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.059 0.845 . . . . 0.0 111.11 172.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -59.5 -41.59 85.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 C-N-CA 119.383 -0.927 . . . . 0.0 110.976 -177.226 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -66.91 -33.65 76.06 Favored 'General case' 0 CA--C 1.533 0.289 0 O-C-N 121.962 -0.461 . . . . 0.0 111.662 176.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt . . . . . 0 CA--C 1.532 0.264 0 CA-C-N 118.425 0.557 . . . . 0.0 109.893 173.517 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 54.9 tp . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 11.2 ttt -62.87 -37.91 88.75 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 122.99 0.516 . . . . 0.0 110.978 -176.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -56.72 -63.56 1.16 Allowed 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 122.713 0.405 . . . . 0.0 110.209 173.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -59.48 -50.95 71.93 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.443 0.697 . . . . 0.0 110.17 -174.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 52.7 tp -66.86 -46.64 74.4 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.903 0.881 . . . . 0.0 111.179 -174.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -118.19 -69.21 0.86 Allowed 'General case' 0 CA--C 1.521 -0.17 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -169.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.41 -22.94 34.91 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -167.166 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -55.29 -37.93 67.97 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 118.365 0.529 . . . . 0.0 111.617 174.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -114.29 -45.11 3.06 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 124.014 0.926 . . . . 0.0 111.524 -176.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -77.2 75.72 3.76 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 124.358 1.063 . . . . 0.0 109.311 -175.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -44.44 -51.19 8.93 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.965 1.306 . . . . 0.0 109.93 173.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.432 ' CD ' ' H ' ' B' ' 67' ' ' GLU . 0.8 OUTLIER -105.34 125.15 50.66 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 126.322 1.849 . . . . 0.0 106.062 169.546 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 88.6 t -102.68 117.03 47.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 C-N-CA 125.87 1.668 . . . . 0.0 106.809 -179.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -89.68 156.59 18.46 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 121.524 -0.735 . . . . 0.0 109.542 -171.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -47.86 -42.8 27.5 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.929 -0.482 . . . . 0.0 112.042 175.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -48.74 -47.79 41.25 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 121.854 -0.529 . . . . 0.0 110.971 172.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -66.14 -41.11 90.88 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 118.973 -0.537 . . . . 0.0 110.112 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -55.84 -51.41 67.61 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.851 0.751 . . . . 0.0 110.105 175.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 40.2 mm -58.24 -53.19 49.44 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-O 121.123 0.487 . . . . 0.0 110.84 177.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 23.7 m -62.52 -37.06 84.61 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.706 -0.621 . . . . 0.0 110.033 -175.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -61.09 -44.21 97.71 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.928 1.291 . . . . 0.0 109.943 173.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.11 -50.24 64.84 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 173.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -47.11 -59.18 5.84 Favored Glycine 0 CA--C 1.528 0.884 0 C-N-CA 123.882 0.754 . . . . 0.0 111.823 172.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.44 -45.62 76.81 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 124.425 1.09 . . . . 0.0 111.922 -176.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.42 -57.89 10.81 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 175.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.86 -39.36 65.6 Favored 'General case' 0 CA--C 1.529 0.151 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -176.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 27.0 ttt -50.53 -18.62 0.7 Allowed 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.658 1.583 . . . . 0.0 113.713 178.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -50.15 -38.25 14.76 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 CA-C-N 119.327 0.967 . . . . 0.0 110.377 169.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 46.79 66.83 0.89 Allowed 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 125.142 1.377 . . . . 0.0 112.522 174.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -36.73 100.22 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.597 1.559 . . . . 0.0 112.913 178.235 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 57.36 49.91 12.33 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.062 0.945 . . . . 0.0 110.258 -179.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 50.61 48.87 21.93 Favored 'General case' 0 C--O 1.226 -0.178 0 C-N-CA 124.046 0.938 . . . . 0.0 109.501 -171.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 95.1 mt . . . . . 0 CA--C 1.537 0.445 0 C-N-CA 124.409 1.084 . . . . 0.0 112.087 -170.646 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 CA--C 1.538 0.515 0 CA-C-O 118.56 -0.733 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_endo -77.73 40.44 0.86 Allowed 'Trans proline' 0 CA--C 1.538 0.699 0 C-N-CA 122.627 2.218 . . . . 0.0 113.776 -169.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.5 mp -65.64 -60.62 2.73 Favored 'General case' 0 N--CA 1.456 -0.131 0 O-C-N 120.956 -1.09 . . . . 0.0 108.598 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -58.46 -38.77 78.21 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.104 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -56.68 -46.73 80.97 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 173.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.02 -51.56 67.52 Favored 'General case' 0 C--O 1.231 0.108 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -179.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 48.0 mm -53.13 -54.58 16.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 177.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.63 -54.87 30.23 Favored Glycine 0 CA--C 1.525 0.702 0 C-N-CA 124.28 0.943 . . . . 0.0 111.352 -178.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.82 -51.84 66.08 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.7 tp -56.69 -57.24 13.27 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.448 0.699 . . . . 0.0 111.264 -176.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.5 tp -63.71 -41.06 91.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 O-C-N 121.795 -0.566 . . . . 0.0 109.791 -176.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.03 -55.57 29.59 Favored Glycine 0 CA--C 1.528 0.859 0 N-CA-C 111.585 -0.606 . . . . 0.0 111.585 177.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.3 tt -67.21 -34.08 67.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 O-C-N 121.504 -0.998 . . . . 0.0 110.583 -176.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -58.46 -53.89 53.2 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 118.708 0.686 . . . . 0.0 110.98 171.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -50.44 -45.16 55.73 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 123.732 0.813 . . . . 0.0 110.114 174.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -66.85 -54.66 20.14 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -175.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -61.73 -40.08 93.84 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.016 0.526 . . . . 0.0 110.625 -174.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.9 m -63.13 -65.85 0.63 Allowed 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 170.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -50.94 -34.45 30.52 Favored Glycine 0 CA--C 1.527 0.797 0 C-N-CA 125.942 1.734 . . . . 0.0 113.723 -171.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.3 ttpp -40.1 -38.91 0.8 Allowed 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 125.286 1.434 . . . . 0.0 112.842 172.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -152.55 -39.65 0.11 Allowed 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.342 0.519 . . . . 0.0 111.551 -173.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.49 84.33 0.44 Allowed Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 109.769 -1.332 . . . . 0.0 109.769 174.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -51.42 -37.19 47.23 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.771 0.828 . . . . 0.0 111.653 170.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -57.21 -15.88 6.86 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.139 1.376 . . . . 0.0 112.555 173.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 64.65 42.74 4.59 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.489 1.516 . . . . 0.0 110.928 175.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.8 p -138.98 170.78 15.36 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 127.584 2.354 . . . . 0.0 104.826 169.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.7 tt -92.05 94.19 9.12 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 105.801 -1.925 . . . . 0.0 105.801 -177.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 85.1 p -91.05 170.69 9.82 Favored 'General case' 0 C--N 1.331 -0.197 0 O-C-N 121.669 -0.644 . . . . 0.0 109.952 -172.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -44.0 -37.12 2.79 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.038 0.935 . . . . 0.0 112.618 -177.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -62.6 -52.84 61.78 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.913 -0.492 . . . . 0.0 110.832 176.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -61.98 -37.47 84.94 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 121.637 -0.665 . . . . 0.0 110.18 178.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.6 tp -61.81 -46.69 88.41 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 122.802 0.441 . . . . 0.0 110.125 175.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -56.67 -48.6 77.26 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 122.98 0.512 . . . . 0.0 109.896 175.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -55.39 -42.69 74.36 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 122.293 -0.254 . . . . 0.0 110.915 174.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 39.5 tp -63.37 -48.32 78.42 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 -178.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 76.7 mt -54.75 -51.08 55.31 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 C-N-CA 123.607 0.763 . . . . 0.0 109.257 175.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.0 tm0? -53.32 -49.03 67.89 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.359 0.664 . . . . 0.0 109.885 178.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -60.86 -53.34 58.46 Favored 'General case' 0 N--CA 1.452 -0.355 0 O-C-N 121.791 -0.568 . . . . 0.0 110.566 -178.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 . . . . . 0 CA--C 1.534 0.348 0 O-C-N 122.163 -0.336 . . . . 0.0 111.223 177.793 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 . . . . . 0 N--CA 1.448 -0.548 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.8 mm -58.91 -45.64 91.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-N 119.789 1.177 . . . . 0.0 110.43 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 68.9 t -57.33 -51.33 70.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 123.866 0.866 . . . . 0.0 109.535 176.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -56.56 -44.81 81.34 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 118.341 0.519 . . . . 0.0 111.316 178.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 29.5 tp -61.73 -49.21 77.34 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.43 1.092 . . . . 0.0 110.171 -178.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.8 mmt -62.31 -40.5 96.52 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.025 0.53 . . . . 0.0 110.678 177.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -59.67 -47.62 84.89 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 118.291 0.496 . . . . 0.0 110.155 172.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -54.09 -48.59 70.51 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.047 0.539 . . . . 0.0 110.826 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 39.7 mt -56.61 -57.84 10.66 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 120.886 0.374 . . . . 0.0 110.324 171.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -74.63 70.75 1.85 Allowed 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.965 0.906 . . . . 0.0 111.047 -177.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.78 57.6 1.31 Allowed 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 169.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 67.02 -38.73 0.34 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 127.38 2.272 . . . . 0.0 113.189 -169.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -74.67 49.59 0.4 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.974 0.91 . . . . 0.0 112.137 176.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -47.92 -38.07 15.72 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 122.425 1.107 . . . . 0.0 109.879 169.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.427 ' H ' ' CD ' ' A' ' 66' ' ' GLN . 3.7 mp0 -54.42 -49.25 70.39 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 127.141 2.176 . . . . 0.0 110.91 178.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -142.42 97.13 3.06 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.918 1.687 . . . . 0.0 111.288 -177.105 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 50.8 t -90.32 109.97 21.43 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 104.796 -2.298 . . . . 0.0 104.796 178.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -93.03 169.48 10.39 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.746 -167.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -50.54 -45.55 56.94 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.824 0.675 . . . . 0.0 112.824 -170.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -59.22 -35.87 74.41 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.268 -0.895 . . . . 0.0 111.445 177.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -72.87 -40.13 65.88 Favored 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 121.772 -0.58 . . . . 0.0 109.549 177.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -56.02 -46.55 78.75 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.285 0.564 . . . . 0.0 110.62 172.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 13.2 mm -56.54 -51.29 67.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 C-N-CA 123.55 0.74 . . . . 0.0 110.011 174.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.7 m -55.15 -42.17 72.76 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.714 -0.616 . . . . 0.0 110.555 177.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -58.24 -42.5 86.5 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.314 1.045 . . . . 0.0 111.26 174.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.3 tt -53.36 -53.24 53.9 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 173.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.16 -53.82 21.8 Favored Glycine 0 CA--C 1.525 0.697 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.656 176.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.02 -55.82 28.26 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 117.418 0.609 . . . . 0.0 110.923 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.86 -53.86 35.7 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.377 1.071 . . . . 0.0 109.636 -179.241 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.82 -45.78 89.2 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.321 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 26.5 ttt -62.24 -38.71 90.29 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.768 -0.582 . . . . 0.0 110.813 179.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.4 mp -58.57 -41.18 81.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 124.18 0.992 . . . . 0.0 109.553 173.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -73.64 55.15 0.5 Allowed 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 118.915 0.78 . . . . 0.0 110.403 169.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -63.65 -35.07 79.33 Favored 'General case' 0 N--CA 1.456 -0.125 0 O-C-N 121.235 -0.915 . . . . 0.0 111.735 -169.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -51.24 -55.91 15.69 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.777 0.831 . . . . 0.0 109.572 170.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.18 -36.59 84.69 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 122.013 -0.429 . . . . 0.0 110.271 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 14.2 tp . . . . . 0 CA--C 1.533 0.318 0 CA-C-O 119.43 -0.319 . . . . 0.0 110.853 176.745 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 19.1 m . . . . . 0 CA--C 1.539 0.534 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -55.18 -36.44 93.2 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 123.031 2.487 . . . . 0.0 111.813 175.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 54.3 tp -53.18 -52.13 59.82 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.878 -0.514 . . . . 0.0 110.165 171.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -63.59 -40.49 97.07 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 122.266 -0.271 . . . . 0.0 110.631 -177.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -55.42 -45.4 76.76 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 171.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.3 -47.59 85.28 Favored 'General case' 0 C--O 1.236 0.356 0 O-C-N 121.948 -0.47 . . . . 0.0 110.878 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 44.1 mm -50.94 -51.46 20.71 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 171.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.25 -54.08 10.59 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 125.347 1.451 . . . . 0.0 112.207 176.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 87.8 mt -58.47 -55.51 34.11 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 117.781 0.791 . . . . 0.0 110.245 179.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -59.2 -54.59 45.18 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.197 0.522 . . . . 0.0 110.463 -174.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 7.3 tt -61.3 -39.97 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.14 -47.78 66.0 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 123.924 0.773 . . . . 0.0 111.377 174.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 40.3 mt -59.58 -54.78 29.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 O-C-N 121.874 -0.78 . . . . 0.0 109.195 175.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -60.19 -27.77 67.41 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 121.566 0.698 . . . . 0.0 112.433 -177.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 48.0 t60 -56.37 -30.1 62.25 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 123.912 0.885 . . . . 0.0 111.026 177.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -54.86 -43.52 73.17 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.647 0.658 . . . . 0.0 110.452 176.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -77.61 -49.75 13.94 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 4.1 m -51.81 -37.85 53.39 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.268 0.627 . . . . 0.0 111.883 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.6 -22.61 40.07 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 125.375 1.464 . . . . 0.0 113.275 -179.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -63.65 -22.75 67.07 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.952 1.376 . . . . 0.0 111.293 174.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 74.8 -56.68 0.63 Allowed 'General case' 0 C--N 1.34 0.191 0 C-N-CA 126.234 1.814 . . . . 0.0 110.873 174.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.1 -30.62 47.2 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 123.955 0.788 . . . . 0.0 112.204 177.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -64.98 -17.36 64.36 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.288 0.635 . . . . 0.0 112.637 176.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 25.2 mtmm 72.98 -66.25 0.32 Allowed 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 127.284 2.233 . . . . 0.0 110.334 -175.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -179.06 54.61 0.01 OUTLIER 'General case' 0 C--O 1.234 0.248 0 C-N-CA 126.641 1.976 . . . . 0.0 106.783 -178.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 16.9 p -140.92 151.63 44.37 Favored 'General case' 0 N--CA 1.442 -0.826 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 -174.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 5.1 tt -94.17 97.98 10.65 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 104.066 -2.568 . . . . 0.0 104.066 168.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.85 166.0 13.31 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.992 0.917 . . . . 0.0 108.905 -170.551 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 6.0 tmtp? -50.39 -41.04 51.4 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 119.237 0.926 . . . . 0.0 112.083 -174.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -58.02 -41.36 82.98 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.83 -0.544 . . . . 0.0 111.468 174.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -71.15 -36.4 72.03 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.862 0.865 . . . . 0.0 110.195 178.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 tt -58.71 -50.03 75.42 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 172.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.33 -46.44 86.21 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.26 0.624 . . . . 0.0 110.968 175.541 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -53.82 -53.83 46.87 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 122.968 0.507 . . . . 0.0 110.045 176.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 66.8 tp -56.96 -49.3 76.13 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.657 0.783 . . . . 0.0 110.461 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 29.0 mt -50.65 -53.54 12.71 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.151 0 C-N-CA 123.268 0.627 . . . . 0.0 109.53 173.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -53.93 -52.2 61.38 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.066 0.546 . . . . 0.0 110.478 -179.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt . . . . . 0 N--CA 1.452 -0.363 0 CA-C-N 118.006 0.366 . . . . 0.0 111.928 178.065 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 54.9 tp . . . . . 0 N--CA 1.45 -0.43 0 CA-C-O 119.324 -0.369 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 21.4 ptt? -58.75 -44.42 90.56 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.089 0.404 . . . . 0.0 110.269 -175.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -57.92 -57.23 13.72 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 122.743 0.417 . . . . 0.0 110.671 177.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -64.97 -35.39 81.02 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 122.428 0.291 . . . . 0.0 111.466 -175.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.56 -48.5 69.43 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.108 0.963 . . . . 0.0 110.214 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -69.28 79.95 0.36 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 122.614 0.366 . . . . 0.0 111.53 -173.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -72.09 66.57 0.62 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.723 0.809 . . . . 0.0 109.125 172.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 68.14 -55.27 0.51 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 126.845 2.058 . . . . 0.0 113.646 -177.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 55.5 mttm -77.4 63.9 2.66 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.032 0.933 . . . . 0.0 112.073 -169.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -46.9 -41.37 15.8 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.338 1.055 . . . . 0.0 112.561 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 9.7 tp60 -49.67 -57.36 7.37 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 123.423 0.689 . . . . 0.0 110.894 179.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -150.44 126.98 10.82 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.822 167.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 35.0 m -93.91 138.85 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 N-CA-C 106.167 -1.79 . . . . 0.0 106.167 169.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -88.65 159.61 17.77 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 -169.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -43.85 -44.45 6.9 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 178.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -58.51 -39.38 79.92 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.321 -0.862 . . . . 0.0 112.141 176.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -72.37 -39.91 67.68 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.436 -0.79 . . . . 0.0 110.18 178.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -56.22 -46.41 79.51 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 121.289 0.566 . . . . 0.0 110.003 170.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 10.2 mm -59.1 -46.54 91.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 C-N-CA 123.502 0.721 . . . . 0.0 110.014 175.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 28.6 m -58.17 -41.84 84.72 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.061 -1.024 . . . . 0.0 110.723 175.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -56.87 -44.45 82.24 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.905 0.882 . . . . 0.0 110.607 172.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.91 -50.64 65.93 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 172.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -45.72 -59.05 5.08 Favored Glycine 0 CA--C 1.523 0.564 0 C-N-CA 123.987 0.803 . . . . 0.0 111.573 174.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.7 -51.83 67.3 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 117.959 0.879 . . . . 0.0 111.44 178.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 63.4 tp -55.87 -34.76 65.77 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 125.026 1.33 . . . . 0.0 111.504 -177.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.25 -47.74 15.39 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.464 0.705 . . . . 0.0 111.232 174.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 48.0 ttm -52.23 -34.62 46.65 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 126.526 1.93 . . . . 0.0 112.464 -173.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 20.5 pt -57.73 -29.44 34.96 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 176.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -78.91 55.97 1.85 Allowed 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 119.866 1.212 . . . . 0.0 107.922 169.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -56.66 -34.33 67.24 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 -165.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -49.65 -39.11 35.0 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.561 0.745 . . . . 0.0 111.669 174.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -77.1 -22.99 51.9 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 122.921 0.488 . . . . 0.0 111.776 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 4.8 tt . . . . . 0 CA--C 1.529 0.146 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 174.962 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 CA--C 1.534 0.335 0 CA-C-O 117.594 -1.193 . . . . 0.0 114.06 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -58.45 -53.98 3.46 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 122.312 2.008 . . . . 0.0 111.246 -175.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 83.0 mt -58.09 -50.5 73.24 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -58.79 -55.03 40.38 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.534 0.734 . . . . 0.0 111.8 -176.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -63.3 -34.2 77.18 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.085 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.73 -60.32 3.46 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-N 118.308 0.504 . . . . 0.0 110.043 178.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.4 tt -60.42 -44.66 96.64 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -178.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.94 -53.75 32.11 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 176.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 51.2 tp -59.71 -51.94 67.61 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 117.195 0.497 . . . . 0.0 110.328 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 73.5 mt -55.17 -55.26 33.21 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 122.443 0.297 . . . . 0.0 111.065 -179.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 55.4 mt -55.0 -56.35 11.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 178.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -51.55 -55.73 18.71 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 111.45 -0.66 . . . . 0.0 111.45 -177.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 21.2 mm -56.68 -53.12 45.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 O-C-N 122.496 -0.414 . . . . 0.0 109.95 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -64.09 -46.36 84.61 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 117.904 0.32 . . . . 0.0 111.793 -173.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 57.6 t60 -49.95 -51.58 40.23 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 125.321 1.448 . . . . 0.0 109.873 170.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -55.32 18.05 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -172.385 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -48.82 -66.98 0.31 Allowed 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 126.553 1.941 . . . . 0.0 110.272 176.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -64.58 -39.46 93.77 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.752 0.311 . . . . 0.0 110.658 -174.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.28 -60.8 7.27 Favored Glycine 0 C--N 1.336 0.54 0 C-N-CA 124.35 0.976 . . . . 0.0 111.301 178.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -58.9 -43.95 91.13 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 117.078 0.439 . . . . 0.0 110.978 -179.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -67.59 -40.48 84.81 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -175.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -177.36 45.64 0.1 OUTLIER Glycine 0 CA--C 1.524 0.643 0 CA-C-O 119.173 -0.793 . . . . 0.0 113.717 178.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.7 t70 66.97 -66.35 0.19 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.23 1.812 . . . . 0.0 114.085 170.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -52.51 125.81 17.52 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 125.039 1.336 . . . . 0.0 110.24 -171.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -79.45 61.4 3.48 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 121.556 0.694 . . . . 0.0 109.201 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 46.1 p -143.21 142.97 31.57 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 105.501 -2.037 . . . . 0.0 105.501 -174.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.4 tt -88.45 83.12 6.85 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 103.707 -2.701 . . . . 0.0 103.707 -174.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.63 174.18 7.32 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 126.694 1.998 . . . . 0.0 108.978 -170.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -48.13 -43.67 31.38 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.72 -0.613 . . . . 0.0 112.648 -170.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -56.56 -56.84 16.24 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.08 0.552 . . . . 0.0 110.584 175.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 55.4 mp0 -53.5 -46.04 69.89 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.621 1.168 . . . . 0.0 110.034 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.6 tt -60.26 -51.51 69.26 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 122.975 0.51 . . . . 0.0 109.872 178.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.3 ttmm -53.49 -48.47 68.92 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 123.231 0.612 . . . . 0.0 110.343 178.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -59.13 -50.6 73.45 Favored 'General case' 0 N--CA 1.454 -0.247 0 O-C-N 121.782 -0.574 . . . . 0.0 109.697 177.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 55.8 tp -52.38 -56.27 16.07 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 122.864 0.465 . . . . 0.0 110.553 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 33.8 pt -60.6 -43.05 93.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.494 -176.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -55.34 -51.68 65.96 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 118.987 0.812 . . . . 0.0 111.171 175.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -55.85 -47.13 77.82 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.437 0.295 . . . . 0.0 110.936 178.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 118.726 -0.654 . . . . 0.0 112.071 177.38 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 . . . . . 0 N--CA 1.448 -0.561 0 CA-C-O 118.74 -0.647 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . 0.256 0.9 OUTLIER -58.97 -37.33 66.81 Favored 'Isoleucine or valine' 0 C--N 1.345 0.41 0 C-N-CA 118.564 -1.255 . . . . 0.0 111.928 -171.263 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 34.2 m -61.26 -39.76 83.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-N 119.024 0.829 . . . . 0.0 110.874 177.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? -67.23 -47.84 69.6 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.5 mp -59.81 -48.32 82.16 Favored 'General case' 0 C--O 1.225 -0.199 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 178.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.7 tpt -51.69 -55.23 20.71 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.373 1.069 . . . . 0.0 110.006 174.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -52.96 -52.28 58.6 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.204 0.602 . . . . 0.0 111.002 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -57.03 -55.16 38.34 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 122.649 0.38 . . . . 0.0 111.131 178.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 60.0 mt -53.41 -42.17 66.72 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.198 0.599 . . . . 0.0 110.447 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -59.38 -21.78 60.4 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 -179.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 58.9 mmt-85 -41.97 -39.29 1.84 Allowed 'General case' 0 C--N 1.344 0.349 0 C-N-CA 125.31 1.444 . . . . 0.0 114.493 -170.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.4 50.15 0.51 Allowed 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.407 1.003 . . . . 0.0 111.78 174.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? 37.89 36.85 0.11 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 128.349 2.66 . . . . 0.0 114.628 -177.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -175.8 140.53 0.44 Allowed 'General case' 0 CA--C 1.523 -0.095 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.82 38.97 0.27 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.373 1.069 . . . . 0.0 112.138 -178.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -143.13 131.47 22.13 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 106.23 -1.767 . . . . 0.0 106.23 177.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.4 t -120.9 139.85 46.88 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 C-N-CA 123.34 0.656 . . . . 0.0 110.053 -170.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -92.24 155.97 17.61 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 124.096 0.958 . . . . 0.0 109.798 -175.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -38.26 -62.41 0.58 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.392 1.477 . . . . 0.0 113.946 -174.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -60.75 -31.88 71.19 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 121.055 -1.028 . . . . 0.0 110.331 -176.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -77.73 -28.22 50.75 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 121.542 -0.724 . . . . 0.0 110.131 179.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -66.04 -46.43 77.86 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 171.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.5 mp -56.78 -49.07 79.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 O-C-N 122.111 -0.368 . . . . 0.0 110.193 171.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 30.1 m -61.18 -37.5 83.16 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 120.862 -1.149 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -58.36 -44.06 88.65 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.072 0.949 . . . . 0.0 110.677 171.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.2 tt -54.2 -51.58 63.96 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 171.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -46.16 -54.98 7.92 Favored Glycine 0 C--O 1.222 -0.632 0 CA-C-O 119.094 -0.837 . . . . 0.0 111.996 175.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.06 -56.19 22.57 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 118.153 0.977 . . . . 0.0 110.598 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 96.6 mt -52.21 -52.36 52.71 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 122.773 0.429 . . . . 0.0 110.818 -178.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.72 -48.98 76.88 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 120.624 0.25 . . . . 0.0 111.089 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 16.6 tmm? -56.5 -44.66 80.93 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 124.824 1.25 . . . . 0.0 111.022 -175.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 26.6 pt -60.82 -13.22 6.53 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 119.785 -0.766 . . . . 0.0 112.714 178.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -91.33 25.65 2.49 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.296 0.953 . . . . 0.0 111.486 170.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -45.14 -35.32 3.1 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.808 1.243 . . . . 0.0 112.198 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.4 mp0 -50.7 -38.62 48.14 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.352 1.061 . . . . 0.0 111.584 177.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.15 -36.18 81.06 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.739 0.416 . . . . 0.0 111.031 176.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 46.3 mt . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 176.563 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 CA--C 1.535 0.367 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_exo -44.75 -45.93 13.06 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 123.893 3.062 . . . . 0.0 114.064 -178.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 86.2 mt -58.22 -41.72 84.7 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.976 -0.452 . . . . 0.0 111.336 177.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -67.44 -43.94 79.9 Favored 'General case' 0 CA--C 1.521 -0.171 0 O-C-N 121.819 -0.55 . . . . 0.0 109.692 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 14.4 tp60 -56.69 -42.77 79.65 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 174.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.76 -52.47 63.08 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 122.897 0.479 . . . . 0.0 109.861 -178.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 61.8 mt -49.06 -58.04 1.43 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 123.808 0.843 . . . . 0.0 109.106 174.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.26 -51.63 20.22 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 124.057 0.837 . . . . 0.0 111.489 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 5.6 tt -62.17 -54.72 36.99 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 122.405 -0.468 . . . . 0.0 110.496 -177.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 pp -64.35 -41.39 96.78 Favored 'General case' 0 C--O 1.237 0.412 0 O-C-N 122.02 -0.425 . . . . 0.0 111.961 -173.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 10.8 pt -66.42 -38.18 81.21 Favored 'Isoleucine or valine' 0 C--N 1.342 0.251 0 C-N-CA 120.125 -0.63 . . . . 0.0 109.719 172.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -52.61 -56.14 19.41 Favored Glycine 0 CA--C 1.528 0.869 0 C-N-CA 124.017 0.818 . . . . 0.0 111.807 176.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 6.9 tp -62.15 -46.87 95.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 117.961 0.881 . . . . 0.0 110.113 177.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -55.23 -43.55 74.66 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.306 0.503 . . . . 0.0 111.204 -178.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -55.06 -33.12 62.45 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 125.393 1.477 . . . . 0.0 112.464 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -56.91 -35.06 68.56 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 118.73 0.696 . . . . 0.0 110.322 178.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -81.0 -65.51 1.0 Allowed 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 169.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 18.8 m -72.63 71.8 1.0 Allowed 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 124.36 1.064 . . . . 0.0 110.313 178.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -167.63 -43.1 0.03 OUTLIER Glycine 0 CA--C 1.524 0.622 0 N-CA-C 107.243 -2.343 . . . . 0.0 107.243 -174.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -62.56 88.33 0.03 OUTLIER 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 106.731 -1.581 . . . . 0.0 106.731 167.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 73.13 -55.97 0.67 Allowed 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 126.002 1.721 . . . . 0.0 109.263 -168.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 61.18 59.48 9.96 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 109.761 -1.336 . . . . 0.0 109.761 178.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -44.14 -41.85 5.95 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 125.718 1.607 . . . . 0.0 111.825 -174.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -164.51 -158.14 0.4 Allowed 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 104.583 -2.377 . . . . 0.0 104.583 169.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 31.7 p-80 -67.38 65.2 0.07 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.472 0.709 . . . . 0.0 110.544 169.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 12.5 t -146.03 144.42 30.06 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.037 0.935 . . . . 0.0 110.224 -177.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 9.5 tt -97.45 108.14 20.8 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 105.096 -2.187 . . . . 0.0 105.096 169.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.8 m -92.4 171.05 9.3 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.47 0.708 . . . . 0.0 111.173 -169.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -47.26 -46.45 24.61 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.994 0.918 . . . . 0.0 111.894 179.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -50.19 -46.5 54.38 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.632 0.73 . . . . 0.0 110.522 173.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -71.07 -36.1 72.15 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 123.358 0.663 . . . . 0.0 110.997 -177.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 72.9 mt -58.63 -47.48 84.23 Favored 'General case' 0 C--O 1.226 -0.153 0 CA-C-N 118.932 0.787 . . . . 0.0 110.2 170.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -57.06 -53.8 53.97 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 118.288 0.495 . . . . 0.0 110.532 177.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -53.21 -50.65 64.27 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 117.791 0.269 . . . . 0.0 110.955 176.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 tt -53.67 -59.1 5.04 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.236 1.014 . . . . 0.0 109.852 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 76.6 mt -52.14 -50.29 36.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-N 118.12 0.418 . . . . 0.0 109.927 179.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -55.98 -44.18 78.31 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 122.879 0.472 . . . . 0.0 111.768 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt . . . . . 0 CA--C 1.53 0.183 0 CA-C-N 118.449 0.568 . . . . 0.0 110.473 175.561 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 tt . . . . . 0 CA--C 1.53 0.177 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 61.9 ttp -51.14 -49.98 59.78 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.655 1.182 . . . . 0.0 110.566 177.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -56.74 -50.78 71.22 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 122.925 0.49 . . . . 0.0 110.301 -178.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -64.7 -44.77 89.19 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 121.064 0.459 . . . . 0.0 111.395 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 31.6 tp -68.39 -46.52 69.79 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 125.404 1.482 . . . . 0.0 112.342 -173.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -79.02 65.07 4.09 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.531 0.733 . . . . 0.0 112.518 -167.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.03 -31.58 61.2 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.335 0.654 . . . . 0.0 110.204 169.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -69.38 2.13 3.29 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.482 1.113 . . . . 0.0 113.307 174.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? 76.1 -60.14 0.49 Allowed 'General case' 0 C--N 1.338 0.069 0 C-N-CA 125.918 1.687 . . . . 0.0 112.06 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -169.62 -163.89 0.41 Allowed 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 125.286 1.434 . . . . 0.0 109.234 -177.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 75.08 -68.65 0.2 Allowed 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 125.928 1.691 . . . . 0.0 112.416 169.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 13.2 mp0 -135.38 109.55 8.31 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 125.881 1.672 . . . . 0.0 108.622 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 20.2 t -92.41 115.91 32.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 N-CA-C 105.333 -2.099 . . . . 0.0 105.333 174.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -91.33 143.93 26.12 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 121.504 -0.747 . . . . 0.0 109.799 -168.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -52.38 -33.95 45.7 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.182 0.993 . . . . 0.0 113.048 -176.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -58.76 -32.69 69.5 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 120.818 -1.176 . . . . 0.0 111.415 175.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -64.57 -49.61 70.51 Favored 'General case' 0 C--O 1.225 -0.225 0 O-C-N 121.596 -0.69 . . . . 0.0 109.705 172.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -51.83 -47.19 64.46 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.639 0.776 . . . . 0.0 110.129 177.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 16.5 mm -63.95 -57.65 10.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 C-N-CA 122.979 0.511 . . . . 0.0 111.196 179.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 29.2 p -60.47 -33.67 72.92 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.265 -0.897 . . . . 0.0 111.132 -177.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -58.76 -48.92 79.55 Favored 'General case' 0 C--N 1.34 0.165 0 C-N-CA 125.914 1.685 . . . . 0.0 110.358 169.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.23 -48.24 62.16 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 172.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -51.94 -59.04 9.2 Favored Glycine 0 CA--C 1.524 0.639 0 CA-C-O 119.382 -0.677 . . . . 0.0 111.725 175.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.76 -49.26 68.6 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.335 1.067 . . . . 0.0 111.155 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 47.7 tp -59.12 -33.82 71.31 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.307 1.043 . . . . 0.0 111.033 -179.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.87 -50.14 25.7 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 118.342 0.519 . . . . 0.0 111.218 171.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 66.7 mtp -58.37 -19.91 39.54 Favored 'General case' 0 N--CA 1.46 0.047 0 C-N-CA 126.204 1.802 . . . . 0.0 113.574 -169.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 11.0 tp -51.26 -40.07 22.21 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 CA-C-N 118.47 0.577 . . . . 0.0 110.792 169.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 65.07 -41.21 0.3 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 127.319 2.248 . . . . 0.0 114.501 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -56.97 139.48 51.87 Favored 'General case' 0 N--CA 1.455 -0.211 0 O-C-N 120.7 -1.25 . . . . 0.0 107.673 167.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 66.56 -61.16 0.32 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.226 1.411 . . . . 0.0 111.855 -170.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.48 -55.63 17.84 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.689 1.195 . . . . 0.0 112.466 -176.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 94.9 mt . . . . . 0 CA--C 1.531 0.245 0 C-N-CA 124.345 1.058 . . . . 0.0 109.51 169.874 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.1 m . . . . . 0 N--CA 1.446 -0.627 0 CA-C-O 118.226 -0.892 . . . . 0.0 113.347 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -46.04 -36.31 15.95 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 122.76 2.307 . . . . 0.0 113.809 175.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 88.0 mt -59.71 -49.49 77.55 Favored 'General case' 0 C--N 1.341 0.205 0 CA-C-N 118.504 0.593 . . . . 0.0 109.952 175.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -37.21 74.52 Favored 'General case' 0 N--CA 1.454 -0.238 0 O-C-N 122.07 -0.393 . . . . 0.0 110.886 -176.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.42 -50.99 68.36 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 170.035 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.43 -53.89 53.0 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 122.463 0.305 . . . . 0.0 110.218 -175.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.8 mt -55.24 -51.79 51.93 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 C-N-CA 123.224 0.61 . . . . 0.0 109.379 177.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.56 -58.51 9.0 Favored Glycine 0 CA--C 1.526 0.721 0 C-N-CA 124.0 0.81 . . . . 0.0 111.353 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.16 -50.53 73.18 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 117.153 0.476 . . . . 0.0 110.441 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.8 tp -54.45 -55.87 24.46 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.767 0.827 . . . . 0.0 110.935 -176.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mp -63.68 -41.83 93.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -44.97 -57.82 5.24 Favored Glycine 0 CA--C 1.526 0.769 0 C-N-CA 125.769 1.652 . . . . 0.0 112.23 175.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.8 tp -74.2 -45.27 47.97 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 CA-C-N 117.618 0.709 . . . . 0.0 110.72 178.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -51.23 -50.3 59.41 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 122.664 0.386 . . . . 0.0 110.989 -172.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -61.37 -32.76 72.69 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 119.824 -0.751 . . . . 0.0 111.84 -176.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -71.9 -52.92 14.91 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 178.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -55.06 -51.1 67.39 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.336 0.654 . . . . 0.0 110.582 -179.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 90.4 p -72.61 -34.93 67.7 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.117 0.567 . . . . 0.0 111.373 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -50.66 -27.97 14.25 Favored Glycine 0 CA--C 1.526 0.769 0 C-N-CA 125.309 1.433 . . . . 0.0 113.178 177.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -48.95 -38.23 22.34 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 117.804 0.802 . . . . 0.0 111.925 171.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -68.76 -54.92 13.15 Favored 'General case' 0 N--CA 1.457 -0.111 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 173.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.78 -176.91 39.79 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -56.03 -23.88 35.95 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.747 1.219 . . . . 0.0 112.933 -177.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -67.95 -7.06 25.49 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.825 0.85 . . . . 0.0 112.322 177.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.8 p-80 47.08 62.6 2.31 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.82 1.648 . . . . 0.0 111.661 170.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.9 t -130.69 152.69 49.78 Favored 'General case' 0 N--CA 1.443 -0.825 0 C-N-CA 125.311 1.444 . . . . 0.0 107.85 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.9 mp -92.88 116.66 29.24 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 106.525 -1.658 . . . . 0.0 106.525 174.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.5 p -97.6 173.94 6.89 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 124.662 1.185 . . . . 0.0 108.335 168.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -43.08 -34.96 1.15 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.142 0.577 . . . . 0.0 111.881 168.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -59.75 -62.51 1.82 Allowed 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 118.679 0.672 . . . . 0.0 110.108 178.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.5 mp0 -57.4 -44.18 84.34 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 122.891 0.476 . . . . 0.0 109.947 -177.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.7 tt -54.23 -62.75 1.45 Allowed 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.468 0.707 . . . . 0.0 109.307 177.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -56.53 -53.65 55.02 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.227 0.611 . . . . 0.0 109.564 -175.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.75 -53.66 14.56 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.232 0.613 . . . . 0.0 110.06 178.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.8 tp -57.5 -62.46 1.76 Allowed 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 121.024 -0.27 . . . . 0.0 110.592 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 34.6 pt -63.79 -34.49 68.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 119.729 -0.788 . . . . 0.0 111.462 -170.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -65.63 -52.7 49.8 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.111 0.964 . . . . 0.0 110.099 178.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -62.24 -44.31 96.84 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.456 0.571 . . . . 0.0 111.065 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 . . . . . 0 CA--C 1.53 0.189 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 173.378 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 . . . . . 0 N--CA 1.447 -0.61 0 CA-C-O 118.168 -0.92 . . . . 0.0 110.693 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 65.1 mt -56.59 -56.09 15.86 Favored 'Isoleucine or valine' 0 C--N 1.345 0.399 0 CA-C-N 120.001 1.273 . . . . 0.0 109.625 175.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.5 p -63.07 -39.62 85.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-O 119.146 -0.454 . . . . 0.0 110.62 -177.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -56.97 -51.87 67.5 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.926 0.784 . . . . 0.0 110.801 174.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.9 mt -59.9 -48.41 81.8 Favored 'General case' 0 N--CA 1.455 -0.177 0 O-C-N 122.141 -0.349 . . . . 0.0 110.282 -178.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 54.5 mtt -54.62 -53.34 55.92 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 176.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -52.98 -52.95 56.52 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.734 0.814 . . . . 0.0 110.977 178.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -63.52 -49.17 74.57 Favored 'General case' 0 N--CA 1.455 -0.186 0 O-C-N 122.269 -0.269 . . . . 0.0 111.485 -177.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 56.0 tp -57.04 -45.3 83.26 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 178.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -59.9 -52.35 65.78 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 122.639 0.375 . . . . 0.0 110.588 178.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.8 ttp-105 -50.45 -43.64 55.27 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 122.472 0.309 . . . . 0.0 110.19 175.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.28 -45.2 81.27 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 119.166 -0.445 . . . . 0.0 111.095 -178.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -107.07 29.22 7.29 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.791 0.836 . . . . 0.0 112.578 -169.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.4 t0 44.58 44.98 7.68 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.644 1.178 . . . . 0.0 111.699 -178.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . 0.308 0.9 OUTLIER 50.44 13.35 0.12 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 128.181 2.592 . . . . 0.0 116.3 -174.844 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -94.62 90.25 6.07 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 172.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 79.6 t -92.08 99.96 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 N-CA-C 105.445 -2.058 . . . . 0.0 105.445 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -90.77 170.14 10.37 Favored 'General case' 0 N--CA 1.461 0.124 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 -175.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -44.27 -51.25 8.5 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -169.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -61.61 -35.45 77.9 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.201 -0.937 . . . . 0.0 111.465 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -71.18 -38.9 72.12 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 121.77 -0.581 . . . . 0.0 110.027 176.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -56.05 -50.2 71.62 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.417 0.553 . . . . 0.0 109.907 171.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 20.3 mm -54.68 -50.24 61.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 O-C-N 121.967 -0.458 . . . . 0.0 109.98 176.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.9 m -55.3 -42.06 73.16 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.768 -0.582 . . . . 0.0 110.596 175.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -62.43 -37.99 88.01 Favored 'General case' 0 C--O 1.224 -0.259 0 C-N-CA 123.316 0.646 . . . . 0.0 111.09 176.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.2 tt -56.1 -49.89 72.58 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 173.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.42 -56.19 13.93 Favored Glycine 0 CA--C 1.53 0.969 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.881 172.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.45 -49.06 78.67 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 117.628 0.714 . . . . 0.0 111.652 -177.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.7 tp -52.99 -57.45 10.29 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.155 0.982 . . . . 0.0 109.053 176.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.4 -41.62 66.15 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 122.931 0.492 . . . . 0.0 111.247 178.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 39.4 ttm -55.67 -33.1 63.8 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.23 0.612 . . . . 0.0 111.7 178.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 36.2 mm -60.46 -29.88 45.37 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 CA-C-N 119.649 1.113 . . . . 0.0 111.255 174.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -91.6 -2.09 57.23 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.209 1.003 . . . . 0.0 112.244 175.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.0 p30 12.76 -83.12 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 128.828 2.851 . . . . 0.0 115.143 174.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -40.0 -42.12 1.33 Allowed 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.656 1.582 . . . . 0.0 111.909 -177.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -43.85 -34.24 1.56 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.962 1.305 . . . . 0.0 113.564 178.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.539 0.538 0 N-CA-C 113.882 1.068 . . . . 0.0 113.882 175.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.539 0.548 0 CA-C-O 118.816 -0.612 . . . . 0.0 109.66 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -60.87 -45.93 18.38 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 122.077 1.851 . . . . 0.0 111.338 178.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 60.3 tp -59.52 -46.56 88.51 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 122.829 0.452 . . . . 0.0 110.155 176.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -54.58 -49.14 71.08 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 118.054 0.388 . . . . 0.0 111.034 175.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.34 -42.53 70.34 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 122.973 0.509 . . . . 0.0 110.638 173.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.47 -50.53 58.69 Favored 'General case' 0 CA--C 1.528 0.123 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -175.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 91.1 mt -55.18 -50.4 64.41 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.165 0 C-N-CA 123.692 0.797 . . . . 0.0 108.967 174.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.47 -54.46 24.1 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 124.05 0.833 . . . . 0.0 111.084 178.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 55.0 tp -57.34 -51.67 68.46 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.816 0.447 . . . . 0.0 110.428 179.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 21.8 tp -53.79 -56.46 17.34 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.252 1.021 . . . . 0.0 111.023 -179.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 23.8 mm -57.02 -44.1 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 123.941 0.897 . . . . 0.0 109.053 178.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -50.27 -66.84 2.14 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 123.968 0.794 . . . . 0.0 111.265 174.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 7.8 tp -55.64 -43.97 75.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-N 117.948 0.874 . . . . 0.0 110.555 -176.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -55.61 -48.39 74.98 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 122.04 -0.412 . . . . 0.0 111.232 176.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -62.79 -31.45 72.43 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.2 0.6 . . . . 0.0 111.467 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -56.83 -41.2 77.44 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 119.353 0.979 . . . . 0.0 110.042 175.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -71.9 -66.76 0.6 Allowed 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 172.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 45.9 m -73.75 69.79 1.35 Allowed 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 124.426 1.091 . . . . 0.0 109.344 179.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 174.75 -20.24 0.05 OUTLIER Glycine 0 CA--C 1.531 1.083 0 C-N-CA 126.696 2.093 . . . . 0.0 110.981 -170.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -71.21 71.19 0.59 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.566 1.147 . . . . 0.0 112.79 -173.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 65.36 -68.45 0.11 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 128.094 2.558 . . . . 0.0 113.241 169.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.09 -61.66 1.56 Allowed Glycine 0 CA--C 1.523 0.54 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 -177.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.36 40.1 0.48 Allowed 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.921 0.888 . . . . 0.0 111.209 -169.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.59 53.26 1.83 Allowed 'General case' 0 CA--C 1.531 0.218 0 O-C-N 121.021 -1.05 . . . . 0.0 111.702 -175.098 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -150.99 -53.49 0.14 Allowed 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.547 1.139 . . . . 0.0 111.259 -173.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 36.0 p -146.91 173.15 12.68 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 125.686 1.594 . . . . 0.0 107.115 -169.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 91.8 mt -88.25 76.89 8.34 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 105.438 -2.06 . . . . 0.0 105.438 174.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 14.0 m -89.62 171.41 9.7 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 114.462 -1.245 . . . . 0.0 108.524 -178.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -24.75 -62.35 0.06 Allowed 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 126.931 2.093 . . . . 0.0 114.258 -168.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -53.94 -52.29 61.11 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 121.233 0.539 . . . . 0.0 109.945 -176.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -63.89 -41.84 97.62 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 123.762 0.825 . . . . 0.0 110.849 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 52.2 tp -58.33 -51.57 69.24 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 179.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -63.24 -47.96 80.27 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 122.279 -0.263 . . . . 0.0 110.61 -178.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -53.53 -49.26 68.0 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 122.211 -0.306 . . . . 0.0 110.806 173.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 50.4 tp -55.31 -60.02 3.99 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 118.323 -0.846 . . . . 0.0 109.53 -179.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 24.2 pt -58.93 -41.84 84.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 CA-C-N 119.491 1.042 . . . . 0.0 110.75 -176.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -54.53 -46.21 73.51 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 122.511 0.324 . . . . 0.0 110.804 177.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt . . . . . 0 CA--C 1.538 0.505 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 179.373 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 13.6 tp . . . . . 0 CA--C 1.531 0.226 0 CA-C-O 120.812 0.339 . . . . 0.0 110.132 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 34.2 ttp -54.79 -52.84 61.36 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.908 0.883 . . . . 0.0 109.951 174.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -54.09 -50.96 65.63 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 122.89 0.476 . . . . 0.0 110.678 178.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -53.39 -51.24 63.17 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.355 0.662 . . . . 0.0 111.419 176.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 57.0 mt -58.94 -48.04 82.91 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 122.421 0.288 . . . . 0.0 111.037 178.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -58.5 -49.61 76.76 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 123.499 0.719 . . . . 0.0 111.451 -179.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 18.4 mtp-105 57.36 -70.75 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 127.092 2.157 . . . . 0.0 111.81 -168.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -128.75 -0.4 5.42 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.905 1.682 . . . . 0.0 110.559 -173.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp 72.3 -56.55 0.65 Allowed 'General case' 0 C--N 1.344 0.332 0 C-N-CA 126.717 2.007 . . . . 0.0 111.626 -178.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -71.93 71.25 0.79 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 106.223 -1.769 . . . . 0.0 106.223 167.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -141.36 144.04 34.32 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 126.003 1.721 . . . . 0.0 107.283 -168.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -119.34 129.72 55.0 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 105.22 -2.141 . . . . 0.0 105.22 169.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 93.9 t -104.48 127.21 59.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 -179.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -92.29 155.95 17.6 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.853 0.861 . . . . 0.0 109.919 -175.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -47.75 -46.4 30.0 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.354 0.662 . . . . 0.0 112.635 177.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 68.3 tp60 -63.02 -36.89 85.06 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.194 -0.942 . . . . 0.0 110.789 178.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -64.5 -45.45 87.23 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 176.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -53.35 -50.66 64.56 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 122.986 0.515 . . . . 0.0 111.002 173.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 14.0 mm -56.2 -58.42 5.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 122.963 0.505 . . . . 0.0 110.484 178.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 2.5 m -60.29 -39.57 87.41 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.485 -0.759 . . . . 0.0 110.094 -176.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -54.83 -44.32 73.78 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.647 1.179 . . . . 0.0 110.672 171.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.6 tt -55.11 -50.45 69.18 Favored 'General case' 0 C--N 1.34 0.159 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 176.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -52.23 -58.48 10.74 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 112.054 -0.418 . . . . 0.0 112.054 175.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.0 -43.94 74.07 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.241 1.016 . . . . 0.0 111.741 -177.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 4.7 tt -62.94 -62.21 1.87 Allowed 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 176.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -50.2 -38.39 39.83 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.355 1.062 . . . . 0.0 112.509 -176.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 50.1 ttp -45.37 -33.49 2.56 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.741 1.216 . . . . 0.0 112.996 177.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 4.6 pt -59.41 -30.22 43.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 119.038 0.836 . . . . 0.0 111.722 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -78.59 59.3 2.43 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 121.543 0.687 . . . . 0.0 110.185 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -58.19 -46.32 86.02 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 175.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 47.7 mp0 -75.58 54.63 0.78 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.243 1.417 . . . . 0.0 110.213 175.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -170.87 -55.32 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 127.381 2.272 . . . . 0.0 106.203 175.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 67.5 mt . . . . . 0 CA--C 1.53 0.209 0 C-N-CA 123.023 0.529 . . . . 0.0 109.99 172.422 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.235 0.336 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -41.07 -52.43 3.42 Favored 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 124.42 3.413 . . . . 0.0 114.471 -177.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -55.35 -53.73 52.5 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.536 0.607 . . . . 0.0 112.552 -177.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -67.96 -40.7 83.15 Favored 'General case' 0 C--O 1.231 0.099 0 O-C-N 121.544 -0.722 . . . . 0.0 110.928 -178.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -55.13 -44.05 74.7 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 173.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.479 ' HB2' HD22 ' B' ' 11' ' ' LEU . . . -68.05 -43.78 77.89 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.648 0.779 . . . . 0.0 111.197 -178.538 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 70.7 mt -55.57 -49.33 74.44 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 173.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.24 -53.03 36.68 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 175.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 55.5 tp -56.62 -48.39 77.59 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.242 0.617 . . . . 0.0 110.641 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 tt -56.04 -52.02 65.72 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 125.173 1.389 . . . . 0.0 110.233 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.9 mm -53.44 -51.52 40.81 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 173.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.98 -63.37 4.28 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 124.074 0.845 . . . . 0.0 111.779 179.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.3 pt -59.32 -41.11 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 CA-C-N 117.652 0.726 . . . . 0.0 110.814 -177.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -61.58 -51.13 69.81 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 118.599 0.636 . . . . 0.0 111.009 -179.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 14.4 t-80 -61.53 -38.57 87.89 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.177 178.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -65.88 -48.43 71.56 Favored 'General case' 0 CA--C 1.528 0.125 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -177.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -59.2 -63.3 1.35 Allowed 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 124.404 1.082 . . . . 0.0 109.381 178.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 m -59.78 -22.23 61.86 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.303 0.641 . . . . 0.0 111.471 -179.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -43.56 -31.92 1.81 Allowed Glycine 0 CA--C 1.527 0.788 0 C-N-CA 126.841 2.162 . . . . 0.0 112.605 168.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -69.61 69.52 0.27 Allowed 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 118.475 1.138 . . . . 0.0 109.68 169.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . 0.284 9.3 pt-20 53.49 -67.76 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 128.425 2.69 . . . . 0.0 113.549 -169.481 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 49.58 40.33 31.98 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 123.868 0.747 . . . . 0.0 111.37 -176.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.4 t70 60.45 -70.22 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.598 1.559 . . . . 0.0 111.644 -169.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.8 pttm -137.64 48.7 2.01 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.881 1.673 . . . . 0.0 108.442 175.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 50.64 44.33 27.51 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.872 1.269 . . . . 0.0 112.441 -173.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.4 p -116.5 174.57 6.0 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 127.606 2.362 . . . . 0.0 105.351 168.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 tt -90.71 84.04 5.83 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 -168.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.2 t -91.46 170.04 10.28 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.421 1.088 . . . . 0.0 110.491 -175.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -40.64 -48.92 2.99 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.558 1.143 . . . . 0.0 113.103 -173.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -51.02 -54.95 20.1 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.692 0.797 . . . . 0.0 110.656 175.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -66.76 -34.41 77.78 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.296 1.039 . . . . 0.0 110.766 -176.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.4 tt -61.48 -55.18 33.99 Favored 'General case' 0 C--O 1.232 0.161 0 C-N-CA 124.061 0.945 . . . . 0.0 109.601 174.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -55.48 -52.01 65.08 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.094 0.557 . . . . 0.0 109.715 178.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -55.55 -42.15 74.25 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 122.772 0.429 . . . . 0.0 110.993 176.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 59.9 tp -65.06 -48.14 74.85 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 118.824 0.738 . . . . 0.0 109.484 -177.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 82.1 mt -53.8 -53.9 23.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 174.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.4 tp60 -54.19 -41.27 68.38 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.245 0.618 . . . . 0.0 111.686 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -66.29 -61.26 2.11 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.222 0.609 . . . . 0.0 109.767 178.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 . . . . . 0 CA--C 1.531 0.232 0 C-N-CA 123.531 0.733 . . . . 0.0 111.486 -178.385 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 . . . . . 0 CA--C 1.536 0.431 0 CA-C-O 118.493 -0.765 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 53.8 mt -64.79 -48.35 84.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 120.227 1.376 . . . . 0.0 108.859 178.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 79.7 t -54.54 -54.27 23.78 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 175.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -53.39 -48.5 68.59 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.246 0.618 . . . . 0.0 110.936 178.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.4 tp -59.71 -50.0 75.56 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 122.748 0.419 . . . . 0.0 110.093 -179.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.3 tpt -63.59 -38.6 91.76 Favored 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 121.937 -0.477 . . . . 0.0 110.612 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -58.14 -51.12 71.02 Favored 'General case' 0 C--O 1.225 -0.201 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 173.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -55.06 -42.8 73.2 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 122.742 0.417 . . . . 0.0 111.483 176.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.8 tp -60.09 -46.82 88.31 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 122.898 0.479 . . . . 0.0 110.106 175.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -70.59 74.51 0.56 Allowed 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 124.165 0.986 . . . . 0.0 109.437 173.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.0 tpp85 -73.92 64.07 0.96 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.645 1.178 . . . . 0.0 110.619 -177.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 64.75 15.73 9.97 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.564 1.546 . . . . 0.0 111.024 -172.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -82.43 57.97 3.91 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.559 1.144 . . . . 0.0 108.02 176.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -77.44 60.5 2.07 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.606 0.762 . . . . 0.0 112.049 -168.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -160.4 -59.48 0.06 Allowed 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.678 1.191 . . . . 0.0 108.832 169.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -148.31 160.64 42.78 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 124.159 0.983 . . . . 0.0 111.602 172.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 19.1 m -118.71 157.24 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 N-CA-C 106.311 -1.737 . . . . 0.0 106.311 165.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -93.13 164.04 13.41 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 122.968 0.507 . . . . 0.0 110.703 -169.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -41.34 -45.06 2.93 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.382 1.073 . . . . 0.0 111.575 168.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.2 tp60 -57.7 -34.43 69.44 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 121.197 -0.939 . . . . 0.0 112.155 178.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -74.03 -40.13 63.08 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 121.557 -0.715 . . . . 0.0 110.277 175.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -52.42 -51.91 56.69 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 118.835 0.743 . . . . 0.0 109.962 171.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 16.5 mm -52.32 -55.08 11.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 C-N-CA 123.256 0.623 . . . . 0.0 110.005 174.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 25.6 m -56.71 -36.38 69.62 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.74 -0.6 . . . . 0.0 111.176 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -61.98 -41.3 97.86 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.656 0.662 . . . . 0.0 110.576 176.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.12 -51.9 62.77 Favored 'General case' 0 C--N 1.344 0.348 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 171.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.17 -53.63 14.65 Favored Glycine 0 CA--C 1.525 0.677 0 CA-C-N 115.272 -0.876 . . . . 0.0 112.236 175.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.44 -57.05 13.96 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 118.008 0.904 . . . . 0.0 110.722 -178.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.6 mp -51.96 -57.89 8.13 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 121.226 0.536 . . . . 0.0 110.247 179.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -52.76 -54.52 32.73 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.287 -178.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 31.5 ttp -59.41 -42.09 90.98 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.374 1.07 . . . . 0.0 110.942 -177.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.7 mm -55.92 -56.9 10.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 174.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.1 p90 -81.1 58.06 3.36 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 119.151 0.887 . . . . 0.0 111.363 173.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -37.7 -42.36 0.56 Allowed 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 126.896 2.078 . . . . 0.0 112.819 178.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -53.87 -32.77 54.34 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.802 0.841 . . . . 0.0 111.157 -173.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.01 -36.03 83.09 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 122.167 0.187 . . . . 0.0 111.445 176.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.5 mm? . . . . . 0 N--CA 1.456 -0.145 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 175.297 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 15.7 m . . . . . 0 CA--C 1.537 0.475 0 N-CA-C 112.505 0.558 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -57.01 -35.57 98.98 Favored 'Trans proline' 0 N--CA 1.456 -0.717 0 C-N-CA 122.636 2.224 . . . . 0.0 111.272 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 pp -54.73 -42.78 71.98 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.88 -0.513 . . . . 0.0 111.659 172.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -69.14 -45.66 69.54 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -178.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -53.01 -45.71 68.03 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 123.285 0.365 . . . . 0.0 110.02 173.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.77 -59.13 5.31 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.187 0.595 . . . . 0.0 110.523 -175.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 14.1 pt -61.27 -42.86 95.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.088 -179.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.94 -53.67 29.13 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 176.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.479 HD22 ' HB2' ' A' ' 8' ' ' ALA . 6.5 tt -57.15 -58.77 6.77 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.176 0.59 . . . . 0.0 109.994 177.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 55.0 mt -52.83 -51.67 60.02 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 121.154 0.502 . . . . 0.0 110.98 -175.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 35.5 mm -63.54 -44.63 98.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 C-N-CA 122.927 0.491 . . . . 0.0 109.984 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.17 -49.52 55.64 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 175.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.3 mp -58.53 -50.82 77.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 O-C-N 121.987 -0.714 . . . . 0.0 109.631 175.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -55.71 -39.37 70.96 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 117.771 0.259 . . . . 0.0 111.387 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -51.83 -36.16 47.12 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.492 1.117 . . . . 0.0 111.139 -179.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -59.5 -51.62 69.1 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 118.392 0.542 . . . . 0.0 110.21 177.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -59.72 -54.17 49.49 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.6 t -50.93 -43.35 60.06 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.627 0.771 . . . . 0.0 110.533 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.13 -35.05 63.4 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 125.044 1.307 . . . . 0.0 112.872 178.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -71.4 -18.04 62.37 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.412 1.106 . . . . 0.0 111.697 176.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 64.23 -74.05 0.05 OUTLIER 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 126.439 1.896 . . . . 0.0 111.873 -178.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.93 -61.96 1.31 Allowed Glycine 0 CA--C 1.529 0.921 0 N-CA-C 110.092 -1.203 . . . . 0.0 110.092 -169.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -128.13 -53.25 1.3 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.784 1.234 . . . . 0.0 111.506 172.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -150.76 -160.54 1.18 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.799 1.24 . . . . 0.0 107.954 -177.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 36.7 m170 -74.37 58.93 0.76 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.617 0.767 . . . . 0.0 109.078 172.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 18.2 p -146.26 170.79 16.05 Favored 'General case' 0 N--CA 1.44 -0.928 0 C-N-CA 126.381 1.872 . . . . 0.0 107.469 -167.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 81.5 mt -95.88 108.97 21.39 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 176.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 18.7 t -96.85 173.54 7.25 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 124.15 0.98 . . . . 0.0 108.939 168.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -44.51 -43.11 7.7 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.636 1.174 . . . . 0.0 112.604 -174.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -64.11 -45.57 88.01 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.465 -0.772 . . . . 0.0 111.907 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 46.3 mp0 -63.76 -46.49 85.05 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 177.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 36.7 tp -52.76 -57.47 10.06 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.16 0.984 . . . . 0.0 109.497 177.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -56.3 -43.12 78.6 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 121.915 -0.491 . . . . 0.0 110.954 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -55.92 -52.62 63.46 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 118.49 0.587 . . . . 0.0 110.113 174.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 58.3 tp -55.18 -52.73 62.4 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 122.901 0.48 . . . . 0.0 110.814 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 1.7 mp -54.93 -53.87 29.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 122.992 0.517 . . . . 0.0 109.788 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -57.69 -43.38 85.07 Favored 'General case' 0 CA--C 1.529 0.169 0 O-C-N 122.006 -0.434 . . . . 0.0 110.591 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt . . . . . 0 N--CA 1.451 -0.4 0 C-N-CA 122.791 0.437 . . . . 0.0 110.543 179.718 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 15.4 mt . . . . . 0 C--O 1.232 0.161 0 N-CA-C 110.611 -0.144 . . . . 0.0 110.611 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 55.6 ttp -59.32 -58.86 6.77 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 120.894 0.378 . . . . 0.0 110.53 176.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -60.01 -39.63 86.46 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.278 0.631 . . . . 0.0 111.762 -174.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -76.79 -70.1 0.48 Allowed 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 61.2 mt -83.57 -69.2 0.65 Allowed 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.226 0.536 . . . . 0.0 111.174 -173.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -85.57 63.63 8.18 Favored 'General case' 0 CA--C 1.521 -0.171 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -167.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 63.7 mtp85 -78.65 49.41 0.88 Allowed 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 168.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 68.52 -37.75 0.36 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.222 1.809 . . . . 0.0 112.228 -168.488 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -56.82 -28.07 60.97 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 126.263 1.825 . . . . 0.0 114.063 -175.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -71.23 74.22 0.69 Allowed 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 121.675 0.75 . . . . 0.0 111.92 -174.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -76.25 -42.12 46.82 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 106.145 -1.798 . . . . 0.0 106.145 166.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -146.93 146.55 30.17 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 125.957 1.703 . . . . 0.0 109.711 168.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 9.2 m -135.25 155.04 36.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 C-N-CA 125.575 1.55 . . . . 0.0 107.883 168.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -92.47 154.02 18.74 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.26 0.624 . . . . 0.0 111.976 -168.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -41.97 -46.5 4.14 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.337 1.055 . . . . 0.0 112.455 171.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 19.4 tp60 -60.42 -34.14 73.52 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.063 -1.023 . . . . 0.0 111.675 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -70.8 -42.44 70.3 Favored 'General case' 0 N--CA 1.455 -0.188 0 O-C-N 121.817 -0.552 . . . . 0.0 109.619 175.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -53.02 -49.36 66.43 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.135 0.425 . . . . 0.0 110.221 171.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 12.8 mm -56.33 -51.74 60.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 122.854 0.462 . . . . 0.0 110.421 176.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 19.7 m -55.14 -43.12 73.88 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.554 -0.716 . . . . 0.0 110.229 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -60.5 -41.41 94.25 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.068 0.547 . . . . 0.0 111.26 174.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.02 -50.77 57.92 Favored 'General case' 0 C--N 1.341 0.232 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 173.042 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.15 -60.12 8.95 Favored Glycine 0 CA--C 1.525 0.66 0 CA-C-O 119.7 -0.5 . . . . 0.0 111.939 175.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.51 -45.4 66.23 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.733 0.813 . . . . 0.0 111.771 -177.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 48.2 tp -61.55 -62.69 1.64 Allowed 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 123.682 0.793 . . . . 0.0 109.614 176.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.72 -38.25 66.88 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.896 0.878 . . . . 0.0 111.505 -174.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 15.7 tpt -52.87 -23.57 7.34 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.993 1.317 . . . . 0.0 112.461 176.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 10.5 tt -51.55 -35.77 17.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 118.975 0.807 . . . . 0.0 111.032 174.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -79.08 51.18 1.12 Allowed 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.155 0.582 . . . . 0.0 110.198 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -59.21 -22.15 60.58 Favored 'General case' 0 C--O 1.223 -0.297 0 C-N-CA 123.431 0.693 . . . . 0.0 112.215 -172.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -43.06 -40.96 3.33 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.723 0.809 . . . . 0.0 111.244 169.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -80.82 -48.41 12.48 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.292 0.637 . . . . 0.0 111.397 178.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 1.8 mm? . . . . . 0 CA--C 1.533 0.314 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -171.252 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.5 p . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -51.5 -44.8 41.56 Favored 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 122.582 2.188 . . . . 0.0 110.99 169.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.9 mt -52.71 -62.18 1.81 Allowed 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.47 0.708 . . . . 0.0 109.65 174.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -60.85 -33.94 73.83 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -176.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.89 -43.43 98.86 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.284 0.493 . . . . 0.0 110.229 172.656 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.23 -49.1 75.51 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 42.6 mm -50.34 -55.17 6.61 Favored 'Isoleucine or valine' 0 C--N 1.342 0.254 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 172.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.79 -50.8 14.12 Favored Glycine 0 CA--C 1.527 0.81 0 C-N-CA 125.564 1.554 . . . . 0.0 112.035 178.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.77 -56.15 20.16 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 122.006 -0.703 . . . . 0.0 110.048 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.0 mt -58.26 -50.08 74.84 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-O 121.946 0.879 . . . . 0.0 111.238 -176.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.0 tt -68.5 -34.76 67.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.643 -177.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.73 -49.78 74.87 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 124.099 0.857 . . . . 0.0 110.971 173.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 75.9 mt -52.67 -53.36 20.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 174.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -58.8 -46.83 86.68 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -179.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -51.42 -42.96 61.85 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 125.505 1.522 . . . . 0.0 110.1 176.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -59.39 -51.47 69.76 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 120.989 0.423 . . . . 0.0 110.401 -176.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -62.4 -45.33 93.62 Favored 'General case' 0 C--O 1.227 -0.088 0 O-C-N 121.87 -0.519 . . . . 0.0 110.614 176.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.3 m -52.05 -41.53 62.39 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 122.342 0.257 . . . . 0.0 111.602 176.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.83 -53.14 43.13 Favored Glycine 0 CA--C 1.523 0.593 0 C-N-CA 124.733 1.158 . . . . 0.0 110.947 174.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -59.31 -37.12 76.96 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 117.577 0.688 . . . . 0.0 112.003 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -61.8 -57.72 10.77 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 118.273 0.488 . . . . 0.0 109.928 170.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.88 -71.84 0.9 Allowed Glycine 0 CA--C 1.528 0.849 0 N-CA-C 110.35 -1.1 . . . . 0.0 110.35 -175.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -80.48 52.85 1.71 Allowed 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.456 1.102 . . . . 0.0 111.064 -176.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.0 ptpp? 146.28 152.43 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 131.318 3.847 . . . . 0.0 106.814 -179.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -128.09 51.33 1.98 Allowed 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 122.475 1.131 . . . . 0.0 108.095 177.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 65.5 p -145.46 152.24 39.48 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 103.824 -2.658 . . . . 0.0 103.824 176.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.7 mp -90.88 152.32 20.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 118.977 0.808 . . . . 0.0 109.114 -169.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 m -145.97 173.18 12.38 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 126.369 1.868 . . . . 0.0 108.003 -172.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -35.93 -53.86 0.76 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.624 1.569 . . . . 0.0 111.893 175.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -42.85 -51.81 5.33 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.902 1.281 . . . . 0.0 111.536 175.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -70.99 -31.43 67.96 Favored 'General case' 0 N--CA 1.451 -0.417 0 O-C-N 121.948 -0.47 . . . . 0.0 110.959 -176.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.9 mt -62.87 -46.67 86.76 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 120.105 -0.638 . . . . 0.0 109.653 171.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 36.2 mmtp -56.41 -48.95 75.87 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.19 0.45 . . . . 0.0 110.25 176.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -53.44 -50.12 65.93 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 122.329 -0.232 . . . . 0.0 110.904 174.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 tt -56.98 -53.86 53.3 Favored 'General case' 0 C--O 1.226 -0.148 0 O-C-N 122.038 -0.414 . . . . 0.0 110.463 -179.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.4 mm -52.17 -46.58 44.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 123.961 0.904 . . . . 0.0 110.173 177.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.3 -53.95 51.54 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 119.3 -0.381 . . . . 0.0 110.619 178.287 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -62.78 -44.21 96.78 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 118.479 0.582 . . . . 0.0 111.115 -175.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 . . . . . 0 CA--C 1.542 0.662 0 C-N-CA 123.455 0.702 . . . . 0.0 111.289 176.437 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 N--CA 1.448 -0.563 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -63.19 -34.65 68.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 C-N-CA 122.924 0.49 . . . . 0.0 110.112 -171.176 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 41.3 t -45.76 -39.89 3.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 C-N-CA 124.29 1.036 . . . . 0.0 111.374 173.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -64.19 -43.22 95.74 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 119.039 0.836 . . . . 0.0 110.869 177.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 48.3 mt -67.54 -43.23 81.25 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -178.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 25.2 mmt -59.77 -43.27 94.42 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 173.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -56.14 -48.89 75.39 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.471 -0.768 . . . . 0.0 110.757 173.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -57.12 -44.98 83.82 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 118.393 0.542 . . . . 0.0 112.174 176.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 36.6 tp -55.77 -47.07 77.66 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.407 -0.808 . . . . 0.0 110.266 173.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -89.08 21.24 3.25 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.104 1.362 . . . . 0.0 111.6 -173.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 32.7 ptt-85 -54.71 -23.49 17.84 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 124.183 0.993 . . . . 0.0 113.332 -172.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -70.04 39.75 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.072 0.949 . . . . 0.0 111.88 169.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.39 39.05 2.85 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.465 1.506 . . . . 0.0 112.057 -176.175 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.8 t0 45.2 38.15 3.16 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.017 1.327 . . . . 0.0 112.541 -175.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -73.37 -68.83 0.47 Allowed 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 121.549 0.69 . . . . 0.0 109.502 178.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -136.78 102.49 4.91 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 106.889 -1.523 . . . . 0.0 106.889 176.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 52.3 t -90.16 96.89 6.58 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 N-CA-C 104.426 -2.435 . . . . 0.0 104.426 -175.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -88.63 159.9 17.64 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.878 -166.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -49.89 -37.39 31.07 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 122.156 -0.34 . . . . 0.0 111.481 174.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -52.66 -49.52 65.07 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 121.387 -0.821 . . . . 0.0 111.085 169.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -59.78 -46.38 89.37 Favored 'General case' 0 C--O 1.225 -0.217 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 178.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -53.23 -53.67 47.28 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.322 0.649 . . . . 0.0 111.535 176.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 24.3 mm -62.91 -54.44 33.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 O-C-N 121.746 -0.596 . . . . 0.0 110.898 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.6 p -58.25 -41.22 83.76 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 121.967 -0.458 . . . . 0.0 110.67 -178.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -54.46 -49.08 70.93 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.941 0.896 . . . . 0.0 110.887 170.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.8 tt -55.97 -50.16 71.57 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -49.98 -55.82 13.93 Favored Glycine 0 CA--C 1.532 1.099 0 N-CA-C 111.634 -0.586 . . . . 0.0 111.634 175.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.77 -51.45 68.84 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.712 0.805 . . . . 0.0 110.853 -179.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.1 tp -60.16 -43.81 95.51 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 122.939 0.496 . . . . 0.0 110.45 -178.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.37 -45.62 90.92 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 122.041 -0.412 . . . . 0.0 111.402 175.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 84.2 mtp -60.84 -43.6 98.09 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.988 -0.445 . . . . 0.0 110.915 176.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 74.1 mt -57.88 -42.43 82.26 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 174.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 16.1 m-30 -72.97 52.06 0.31 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.54 0.736 . . . . 0.0 110.726 170.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -56.61 -35.06 67.85 Favored 'General case' 0 C--O 1.22 -0.486 0 O-C-N 121.497 -0.752 . . . . 0.0 110.644 -175.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -51.28 -44.91 61.93 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.277 0.489 . . . . 0.0 111.331 175.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.43 -48.67 26.2 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 53.6 tp . . . . . 0 CA--C 1.532 0.281 0 C-N-CA 121.342 -0.143 . . . . 0.0 111.181 -174.888 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 53.6 p . . . . . 0 C--O 1.235 0.338 0 N-CA-C 106.229 -1.767 . . . . 0.0 106.229 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.61 -54.58 4.34 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.096 1.864 . . . . 0.0 110.425 175.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 57.2 tp -56.44 -50.44 71.66 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.316 0.646 . . . . 0.0 110.421 178.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -61.37 -45.09 95.82 Favored 'General case' 0 N--CA 1.455 -0.179 0 O-C-N 121.896 -0.503 . . . . 0.0 111.412 -176.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -60.79 -39.35 88.58 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 122.351 -0.218 . . . . 0.0 110.626 174.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.54 -49.6 76.06 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 120.92 0.39 . . . . 0.0 110.207 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 74.1 mt -58.11 -50.16 79.11 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 175.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.62 -55.72 10.66 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 177.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 60.2 tp -53.12 -57.55 10.07 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.798 0.839 . . . . 0.0 110.06 176.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 13.3 tp -50.96 -57.81 7.62 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.149 0.979 . . . . 0.0 110.919 -177.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 32.2 mm -62.48 -42.98 97.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 -177.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -45.83 -69.78 0.75 Allowed Glycine 0 CA--C 1.529 0.916 0 C-N-CA 124.042 0.83 . . . . 0.0 111.305 172.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 9.6 pt -61.31 -41.46 89.83 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 O-C-N 121.974 -0.721 . . . . 0.0 111.115 -175.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -51.31 -57.56 8.56 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 122.912 0.485 . . . . 0.0 110.753 176.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -64.92 -28.44 69.53 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 121.103 -0.239 . . . . 0.0 110.718 -171.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -74.29 -55.95 5.44 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -54.18 -46.88 72.49 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 121.014 0.435 . . . . 0.0 109.835 176.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 12.5 m -76.72 57.39 1.27 Allowed 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.148 0.979 . . . . 0.0 110.474 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 171.33 -67.78 0.14 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.782 -0.527 . . . . 0.0 111.782 -175.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt 44.73 -75.53 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 127.624 2.37 . . . . 0.0 114.329 -176.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -61.57 -35.46 77.85 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 125.072 1.349 . . . . 0.0 110.868 178.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -149.76 159.42 28.08 Favored Glycine 0 C--N 1.336 0.577 0 N-CA-C 109.093 -1.603 . . . . 0.0 109.093 177.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -77.31 58.87 1.72 Allowed 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.016 0.908 . . . . 0.0 111.577 -175.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -61.41 -44.98 96.19 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 122.954 0.501 . . . . 0.0 109.707 177.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 17.4 m170 55.02 24.04 5.65 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 126.424 1.89 . . . . 0.0 110.649 -175.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 9.4 p -147.69 155.63 41.95 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 128.018 2.527 . . . . 0.0 104.305 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 31.0 mt -93.91 151.31 19.66 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 -172.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 25.0 t -146.45 173.43 12.29 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.865 0.866 . . . . 0.0 109.109 175.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -45.33 -45.61 12.46 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 125.396 1.479 . . . . 0.0 110.527 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 47.1 tptt -51.59 -55.87 16.77 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.943 0.897 . . . . 0.0 111.15 177.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.5 mp0 -62.9 -37.28 86.31 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.017 0.527 . . . . 0.0 110.687 -178.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 53.5 tp -63.92 -49.44 72.6 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 120.782 0.325 . . . . 0.0 110.527 176.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -51.47 67.27 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.668 0.787 . . . . 0.0 109.49 177.251 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -55.67 -45.07 77.78 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 119.399 -0.334 . . . . 0.0 110.859 176.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 60.9 tp -55.62 -56.81 16.0 Favored 'General case' 0 N--CA 1.457 -0.101 0 CA-C-N 118.657 0.662 . . . . 0.0 110.683 177.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 39.9 pt -60.88 -37.14 76.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 C-N-CA 119.503 -0.879 . . . . 0.0 111.062 -178.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -57.21 -47.96 79.99 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 122.162 -0.337 . . . . 0.0 110.508 174.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt . . . . . 0 CA--C 1.53 0.183 0 C-N-CA 122.735 0.414 . . . . 0.0 111.332 178.537 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 49.2 tp . . . . . 0 C--O 1.225 -0.212 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 25.3 ttt -49.91 -62.98 1.26 Allowed 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 174.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -49.86 -59.7 3.61 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.927 0.891 . . . . 0.0 111.809 -178.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -57.65 -51.63 68.73 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.285 1.034 . . . . 0.0 111.384 -177.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.5 tt -81.26 -53.89 5.96 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -168.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -129.11 -15.56 4.19 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 116.687 2.106 . . . . 0.0 116.687 -165.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 25.73 -64.19 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 130.135 3.374 . . . . 0.0 117.692 -175.334 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -47.33 -49.41 24.24 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.777 1.231 . . . . 0.0 109.599 169.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? 66.41 -73.85 0.07 Allowed 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 125.597 1.559 . . . . 0.0 112.54 172.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 32.41 -111.02 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 128.133 2.573 . . . . 0.0 111.619 -175.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -119.3 -49.63 2.37 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 126.318 1.847 . . . . 0.0 110.269 176.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -116.74 107.12 14.27 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.599 1.16 . . . . 0.0 109.265 -172.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 95.9 t -94.14 125.35 46.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 C-N-CA 125.463 1.505 . . . . 0.0 107.316 -178.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -92.15 152.14 20.04 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 121.089 0.471 . . . . 0.0 110.017 -171.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -39.34 -40.08 0.74 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.839 1.656 . . . . 0.0 113.648 174.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.1 tp-100 -55.82 -39.91 72.03 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.04 -1.038 . . . . 0.0 111.453 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -63.12 -41.23 99.29 Favored 'General case' 0 CA--C 1.529 0.171 0 O-C-N 121.632 -0.668 . . . . 0.0 109.977 176.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -59.97 -48.25 82.47 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 122.849 0.459 . . . . 0.0 110.778 175.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 2.9 tp -69.29 -39.61 79.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 O-C-N 121.089 -1.007 . . . . 0.0 110.922 -176.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 14.8 p -62.6 -38.36 89.87 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.151 -0.968 . . . . 0.0 109.982 173.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -57.11 -39.87 75.95 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.205 0.602 . . . . 0.0 110.852 168.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 4.0 tt -59.06 -48.82 80.2 Favored 'General case' 0 CA--C 1.528 0.122 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 175.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -46.55 -52.24 11.32 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.601 -0.6 . . . . 0.0 111.601 170.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.94 -50.86 71.69 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 117.343 0.571 . . . . 0.0 112.012 -179.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 74.1 mt -52.2 -49.86 63.05 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 118.565 0.621 . . . . 0.0 110.088 175.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.58 -43.69 98.4 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.01 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 15.6 tpt -57.74 -43.87 85.65 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 122.045 -0.409 . . . . 0.0 110.447 175.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 75.4 mt -59.31 -41.34 83.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 174.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 9.0 m-30 -73.99 52.14 0.43 Allowed 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.525 -0.734 . . . . 0.0 110.717 171.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 32.6 p-10 -52.26 -38.03 57.1 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 125.104 1.361 . . . . 0.0 111.67 -177.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -44.98 -36.56 3.46 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.229 1.412 . . . . 0.0 112.678 174.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -80.2 -44.98 18.83 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 118.026 0.376 . . . . 0.0 110.825 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 11.0 mp . . . . . 0 N--CA 1.463 0.195 0 O-C-N 121.969 -0.457 . . . . 0.0 109.874 177.42 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.6 m . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -46.32 -59.06 1.35 Allowed 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 124.63 3.553 . . . . 0.0 113.908 -169.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -53.02 -51.31 62.12 Favored 'General case' 0 N--CA 1.457 -0.101 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 -179.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -61.17 -49.93 75.19 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 122.587 0.355 . . . . 0.0 111.136 -175.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -62.03 -36.8 82.68 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 119.557 -0.857 . . . . 0.0 110.729 178.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.74 -54.75 22.95 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 -178.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 65.8 mt -50.69 -54.69 8.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 124.795 1.238 . . . . 0.0 109.08 175.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.3 -49.14 52.17 Favored Glycine 0 CA--C 1.527 0.821 0 C-N-CA 123.688 0.661 . . . . 0.0 111.766 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.3 tp -66.44 -46.62 75.85 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 122.005 -0.703 . . . . 0.0 110.707 -176.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -56.05 -48.77 75.4 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 118.495 0.589 . . . . 0.0 110.524 174.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 60.2 mt -51.6 -53.43 16.52 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.297 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 174.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -51.9 -55.71 19.71 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 123.529 0.585 . . . . 0.0 111.839 179.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.4 mm -54.92 -48.71 74.59 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.108 0 C-N-CA 123.304 0.642 . . . . 0.0 110.195 -178.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -63.28 -53.45 52.67 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 121.528 0.68 . . . . 0.0 110.581 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -54.98 -31.92 61.17 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.861 1.665 . . . . 0.0 111.799 -178.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.4 tptt -51.06 -42.46 60.56 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 118.833 0.742 . . . . 0.0 110.317 175.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -82.54 -71.79 0.47 Allowed 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 122.198 0.999 . . . . 0.0 109.858 170.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.1 m -56.93 -30.02 63.62 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 126.053 1.741 . . . . 0.0 114.259 -167.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.75 -35.07 51.74 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 124.093 0.854 . . . . 0.0 111.706 174.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -65.21 -20.51 66.47 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 117.992 0.896 . . . . 0.0 111.64 178.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -88.48 2.43 52.86 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.8 0.84 . . . . 0.0 111.362 174.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 50.99 -114.35 2.74 Favored Glycine 0 C--N 1.339 0.721 0 C-N-CA 125.448 1.499 . . . . 0.0 112.117 174.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -56.22 -44.13 79.25 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.599 0.76 . . . . 0.0 110.903 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -81.71 61.98 5.33 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -177.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -69.68 74.2 0.41 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.881 1.272 . . . . 0.0 110.595 -171.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 66.6 p -145.96 171.5 14.75 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 129.186 2.994 . . . . 0.0 106.035 -170.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.4 mt -98.28 113.56 25.54 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 173.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.0 p -90.54 164.42 14.24 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 174.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -34.93 -54.79 0.58 Allowed 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 114.217 1.192 . . . . 0.0 114.217 -172.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -59.21 -47.72 84.27 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 122.639 0.376 . . . . 0.0 111.479 -179.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -62.91 -47.37 83.54 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.094 0.558 . . . . 0.0 109.765 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -55.97 -56.33 22.05 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.736 0.815 . . . . 0.0 109.18 178.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -52.59 -54.14 37.11 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.632 0.773 . . . . 0.0 110.842 178.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -57.46 -47.84 80.76 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 -178.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 58.0 tp -56.13 -55.22 35.7 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 122.723 0.409 . . . . 0.0 110.207 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 28.5 pt -64.41 -42.0 94.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 C-N-CA 119.739 -0.784 . . . . 0.0 110.937 -174.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.57 -50.38 70.21 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.498 0.59 . . . . 0.0 110.165 174.093 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -60.86 -55.54 31.87 Favored 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 122.184 -0.323 . . . . 0.0 110.511 -177.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 52.3 tt0 . . . . . 0 N--CA 1.45 -0.433 0 C-N-CA 123.192 0.597 . . . . 0.0 110.554 -179.729 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 . . . . . 0 N--CA 1.449 -0.523 0 CA-C-O 117.837 -1.078 . . . . 0.0 110.247 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -64.49 -43.99 96.92 Favored 'Isoleucine or valine' 0 C--N 1.342 0.281 0 CA-C-N 120.263 1.392 . . . . 0.0 109.748 -169.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 79.1 t -56.21 -59.62 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 C-N-CA 123.418 0.687 . . . . 0.0 109.38 176.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -57.91 -50.84 71.98 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 117.938 0.335 . . . . 0.0 110.52 -176.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 58.6 tp -52.45 -63.09 1.25 Allowed 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 125.458 1.503 . . . . 0.0 110.343 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 45.4 ttp -60.07 -49.46 77.58 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.031 -175.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -55.87 -55.09 36.66 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 122.436 0.294 . . . . 0.0 110.684 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -61.27 -47.46 85.9 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 123.159 0.287 . . . . 0.0 110.385 -174.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 85.8 mt -62.91 -48.75 77.61 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.749 179.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -62.61 -58.38 7.72 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -176.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 35.81 47.25 0.38 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.542 1.537 . . . . 0.0 112.833 -168.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 64.07 68.68 0.56 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.588 1.555 . . . . 0.0 111.587 179.468 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -133.04 -47.75 0.85 Allowed 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 123.8 0.84 . . . . 0.0 111.527 171.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.1 t70 66.11 -66.47 0.17 Allowed 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 126.924 2.09 . . . . 0.0 113.078 177.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . 0.258 0.0 OUTLIER -65.8 -42.8 90.26 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -169.314 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -145.84 123.54 11.86 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.497 1.119 . . . . 0.0 109.446 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 69.1 t -97.62 133.58 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 170.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -92.73 150.1 20.88 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.469 0.707 . . . . 0.0 109.548 -176.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -40.01 -42.6 1.42 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 126.057 1.743 . . . . 0.0 113.089 175.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -56.14 -34.16 65.85 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.578 -0.701 . . . . 0.0 112.089 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -72.05 -43.44 64.93 Favored 'General case' 0 C--O 1.227 -0.101 0 CA-C-N 118.759 0.709 . . . . 0.0 110.666 177.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -52.08 -49.54 63.35 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 172.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 14.9 mm -60.75 -47.57 92.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 C-N-CA 122.909 0.484 . . . . 0.0 111.078 177.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 41.3 m -53.98 -43.94 70.39 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.315 -0.865 . . . . 0.0 109.754 175.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -65.11 -41.21 95.12 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.07 0.548 . . . . 0.0 111.023 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.49 ' CD1' HG22 ' B' ' 9' ' ' ILE . 4.6 tp -51.24 -48.66 62.07 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 169.658 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -52.65 -57.54 13.78 Favored Glycine 0 C--O 1.222 -0.603 0 CA-C-O 118.982 -0.899 . . . . 0.0 111.626 173.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.59 -53.58 44.74 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 118.426 1.113 . . . . 0.0 111.408 -178.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.8 mt -46.89 -47.62 21.41 Favored 'General case' 0 C--O 1.226 -0.17 0 C-N-CA 124.423 1.089 . . . . 0.0 110.71 178.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.97 -58.73 3.72 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.866 0.365 . . . . 0.0 110.973 176.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 21.8 ttt -55.56 -28.59 55.84 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 126.631 1.972 . . . . 0.0 113.749 -169.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 17.7 pt -57.31 -29.01 31.78 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-N 119.363 0.983 . . . . 0.0 112.174 173.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 54.21 16.43 1.19 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.882 1.273 . . . . 0.0 114.104 173.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.25 -44.65 92.36 Favored 'General case' 0 CA--C 1.524 -0.049 0 C-N-CA 124.047 0.939 . . . . 0.0 110.229 -173.251 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -78.81 54.42 1.54 Allowed 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 122.963 0.505 . . . . 0.0 111.089 -179.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 46.06 57.17 5.42 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.344 1.057 . . . . 0.0 110.212 -176.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.2 tp . . . . . 0 CA--C 1.531 0.249 0 C-N-CA 125.452 1.501 . . . . 0.0 112.819 -176.512 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 CA--C 1.54 0.584 0 N-CA-C 116.427 2.01 . . . . 0.0 116.427 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -58.99 -49.2 11.83 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.973 1.782 . . . . 0.0 112.25 175.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 62.6 tp -62.3 -45.56 92.7 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 178.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -54.3 -56.02 22.59 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 120.705 0.288 . . . . 0.0 111.636 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -65.19 -29.14 69.93 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 120.181 -0.608 . . . . 0.0 110.863 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.7 -51.82 60.42 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.777 0.717 . . . . 0.0 110.609 176.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.49 HG22 ' CD1' ' A' ' 77' ' ' LEU . 19.7 pt -62.0 -41.26 90.31 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.131 0 O-C-N 121.945 -0.472 . . . . 0.0 109.765 177.286 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.22 -52.19 23.64 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 171.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.9 tp -60.74 -50.74 72.25 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.528 0.731 . . . . 0.0 110.462 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 66.7 mt -55.87 -46.54 78.23 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.357 0.526 . . . . 0.0 111.439 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 72.2 mt -60.49 -51.62 70.94 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 C-N-CA 123.846 0.858 . . . . 0.0 109.293 176.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.36 -53.71 33.56 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 15.2 mm -53.89 -46.45 64.18 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 C-N-CA 123.924 0.89 . . . . 0.0 109.999 176.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -54.54 -58.77 6.2 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.522 0.677 . . . . 0.0 110.492 176.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -60.0 -28.82 68.02 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.043 -176.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -62.41 -47.86 82.25 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 175.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -57.75 -49.16 77.52 Favored 'General case' 0 C--N 1.34 0.163 0 CA-C-N 118.349 0.522 . . . . 0.0 110.263 175.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 13.7 m -48.78 -49.96 36.22 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 120.734 0.302 . . . . 0.0 110.569 175.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.19 -42.64 98.71 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 125.502 1.525 . . . . 0.0 112.436 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -71.62 64.31 0.44 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.104 0.952 . . . . 0.0 110.775 176.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 49.2 40.29 17.52 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.946 1.298 . . . . 0.0 111.631 177.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.49 -53.46 1.23 Allowed Glycine 0 CA--C 1.523 0.532 0 N-CA-C 109.785 -1.326 . . . . 0.0 109.785 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 32.9 t0 66.96 153.87 0.09 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.767 2.027 . . . . 0.0 111.667 -173.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp 63.33 166.71 0.13 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.691 1.596 . . . . 0.0 112.094 -177.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -97.21 59.5 1.61 Allowed 'General case' 0 N--CA 1.458 -0.05 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 169.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 45.2 p -144.08 147.2 33.45 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 103.889 -2.634 . . . . 0.0 103.889 174.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 80.9 mt -92.09 113.4 25.66 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 178.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 36.1 t -88.54 167.39 13.46 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 175.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -42.29 -49.0 5.08 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.951 0.901 . . . . 0.0 112.882 -169.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 20.4 ttpp -62.41 -42.77 99.68 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.872 -0.518 . . . . 0.0 111.41 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -64.08 -44.41 92.45 Favored 'General case' 0 C--N 1.334 -0.069 0 O-C-N 121.471 -0.768 . . . . 0.0 109.938 178.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -54.84 -50.94 67.39 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 174.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -52.75 -49.31 65.73 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.466 0.706 . . . . 0.0 110.98 175.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -54.67 -48.31 72.52 Favored 'General case' 0 N--CA 1.464 0.227 0 O-C-N 121.26 -0.9 . . . . 0.0 110.993 175.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 10.0 tt -57.18 -56.23 24.53 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 119.313 -0.375 . . . . 0.0 110.791 178.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 44.8 pt -65.99 -32.05 56.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 118.82 0.736 . . . . 0.0 111.947 -174.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -60.64 -59.12 5.9 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 118.315 0.507 . . . . 0.0 109.89 170.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt . . . . . 0 CA--C 1.533 0.293 0 C-N-CA 123.608 0.763 . . . . 0.0 111.014 -176.746 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 81.5 mt . . . . . 0 CA--C 1.53 0.199 0 N-CA-C 110.575 -0.158 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 62.1 tpp -51.97 -53.32 42.81 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 176.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -55.3 -48.74 73.66 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.816 0.847 . . . . 0.0 111.134 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -55.98 -49.6 73.13 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.313 0.645 . . . . 0.0 110.869 -179.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 88.7 mt -64.91 -43.78 91.71 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 120.49 0.186 . . . . 0.0 110.746 178.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -58.52 -48.04 82.17 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.122 0.969 . . . . 0.0 111.509 -178.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 62.45 -69.25 0.06 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 126.603 1.961 . . . . 0.0 111.497 -173.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -158.15 26.34 0.25 Allowed 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.151 1.38 . . . . 0.0 110.725 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -95.75 2.83 54.11 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.048 0.939 . . . . 0.0 112.298 -175.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -49.06 -23.08 1.05 Allowed 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 115.261 1.578 . . . . 0.0 115.261 -171.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -61.38 -48.02 83.17 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 118.456 0.571 . . . . 0.0 110.673 174.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -145.86 96.05 2.74 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 127.332 2.253 . . . . 0.0 109.319 -175.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 93.0 t -92.61 138.86 19.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -91.05 152.9 20.47 Favored 'General case' 0 C--N 1.332 -0.155 0 O-C-N 121.132 -0.98 . . . . 0.0 110.934 -168.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -40.01 -52.77 2.45 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.989 0.916 . . . . 0.0 112.873 173.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -62.06 -22.97 66.2 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 120.88 -1.137 . . . . 0.0 112.342 -178.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -71.53 -36.11 70.92 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 119.139 0.881 . . . . 0.0 110.698 171.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -61.5 -46.63 89.19 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.397 0.999 . . . . 0.0 108.358 174.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 43.8 mm -59.56 -60.41 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.313 178.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 36.0 p -61.31 -30.89 70.77 Favored 'General case' 0 C--O 1.225 -0.199 0 O-C-N 121.379 -0.826 . . . . 0.0 110.752 -177.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.86 -47.26 86.47 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.608 0.64 . . . . 0.0 111.239 169.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.6 -49.66 64.62 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 173.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -46.98 -66.89 1.64 Allowed Glycine 0 C--O 1.221 -0.672 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.476 175.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.25 -50.21 59.65 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.862 1.265 . . . . 0.0 111.516 -177.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 9.0 tt -49.71 -50.26 44.59 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 124.486 1.115 . . . . 0.0 110.408 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.46 -46.95 58.55 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 120.793 0.33 . . . . 0.0 111.344 175.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 23.6 ttp -59.85 -19.71 52.76 Favored 'General case' 0 C--N 1.333 -0.136 0 C-N-CA 126.235 1.814 . . . . 0.0 112.885 -169.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 13.5 tt -47.08 -37.83 4.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-N 118.016 0.371 . . . . 0.0 111.279 169.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 55.66 12.3 0.79 Allowed 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 115.1 1.519 . . . . 0.0 115.1 173.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -62.12 156.64 21.08 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 120.998 -1.064 . . . . 0.0 110.487 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 55.93 39.53 30.57 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.849 0.859 . . . . 0.0 110.785 -177.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 50.0 50.65 18.12 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.93 0.892 . . . . 0.0 110.059 -172.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 13.7 tp . . . . . 0 CA--C 1.532 0.276 0 C-N-CA 124.759 1.224 . . . . 0.0 109.889 -169.951 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.533 0.32 0 CA-C-O 118.25 -0.881 . . . . 0.0 113.156 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.33 -46.71 30.54 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 122.309 2.006 . . . . 0.0 112.547 177.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.5 mt -60.52 -49.47 77.43 Favored 'General case' 0 CA--C 1.528 0.125 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 178.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -58.91 -45.17 90.96 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 122.584 0.353 . . . . 0.0 111.854 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -58.14 -43.32 87.27 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.923 0.889 . . . . 0.0 109.526 175.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.13 -47.96 77.91 Favored 'General case' 0 CA--C 1.529 0.157 0 O-C-N 122.138 -0.351 . . . . 0.0 110.376 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 91.7 mt -53.41 -46.29 58.34 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 173.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.1 -54.75 17.79 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 125.119 1.342 . . . . 0.0 111.415 173.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.8 mt -55.62 -50.68 69.53 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 117.234 0.517 . . . . 0.0 110.27 176.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 mp -57.07 -56.74 17.81 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.563 0.619 . . . . 0.0 111.674 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.5 tt -62.78 -39.29 84.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 O-C-N 121.76 -0.588 . . . . 0.0 110.299 -177.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.94 -54.84 32.44 Favored Glycine 0 CA--C 1.528 0.894 0 N-CA-C 110.72 -0.952 . . . . 0.0 110.72 173.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 69.5 mt -55.45 -44.13 74.77 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 C-N-CA 123.645 0.778 . . . . 0.0 109.699 177.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -57.81 -52.04 67.09 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 118.418 0.554 . . . . 0.0 110.583 177.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -61.18 -34.82 75.68 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 121.874 -0.516 . . . . 0.0 111.08 179.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -67.11 -59.75 3.19 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -78.8 -77.58 0.17 Allowed 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.9 1.28 . . . . 0.0 110.307 -173.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -53.59 -45.06 69.88 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 123.301 0.64 . . . . 0.0 110.46 -177.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.29 9.48 47.96 Favored Glycine 0 CA--C 1.529 0.932 0 CA-C-O 118.369 -1.24 . . . . 0.0 114.233 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 37.66 53.74 1.46 Allowed 'General case' 0 C--O 1.234 0.251 0 C-N-CA 125.731 1.612 . . . . 0.0 112.143 177.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 44.96 27.7 0.3 Allowed 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.792 2.037 . . . . 0.0 114.275 178.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 141.65 -45.42 0.95 Allowed Glycine 0 C--N 1.337 0.601 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -173.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -76.49 70.86 3.09 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 117.784 0.792 . . . . 0.0 109.538 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -47.18 127.29 10.39 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.855 1.662 . . . . 0.0 113.409 -170.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -155.83 166.89 32.15 Favored 'General case' 0 N--CA 1.44 -0.972 0 C-N-CA 127.4 2.28 . . . . 0.0 107.169 -178.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 65.3 p -96.0 175.72 6.38 Favored 'General case' 0 N--CA 1.439 -1.019 0 C-N-CA 127.35 2.26 . . . . 0.0 105.809 170.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 tt -88.73 77.24 7.91 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 105.946 -1.872 . . . . 0.0 105.946 -170.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.6 p -93.13 172.51 8.26 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 114.926 -1.033 . . . . 0.0 110.36 -177.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.8 pttp -32.2 -43.94 0.08 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.844 1.657 . . . . 0.0 112.69 168.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -57.08 -58.75 6.84 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 121.62 0.724 . . . . 0.0 110.855 177.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.4 mp0 -61.77 -39.83 93.02 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.886 0.874 . . . . 0.0 109.37 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.3 tp -59.67 -57.99 10.52 Favored 'General case' 0 N--CA 1.453 -0.309 0 O-C-N 121.85 -0.531 . . . . 0.0 109.926 178.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -60.38 -37.38 80.58 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 118.739 0.699 . . . . 0.0 110.975 -177.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -53.17 -56.31 17.4 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 172.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.3 tt -57.39 -50.73 72.04 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 122.875 0.47 . . . . 0.0 110.948 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 34.8 mm -55.44 -53.95 30.54 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 -179.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -56.81 -47.78 79.49 Favored 'General case' 0 CA--C 1.531 0.228 0 O-C-N 122.265 -0.272 . . . . 0.0 111.009 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -66.74 -53.59 31.74 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-O 120.682 0.277 . . . . 0.0 111.699 -174.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 . . . . . 0 N--CA 1.453 -0.312 0 C-N-CA 123.153 0.581 . . . . 0.0 111.792 -174.371 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 118.772 -0.632 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 82.7 mt -60.64 -49.98 82.26 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 CA-C-N 119.579 1.081 . . . . 0.0 109.39 -179.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 69.4 t -56.45 -48.09 80.64 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 123.606 0.763 . . . . 0.0 110.017 177.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -57.41 -50.97 71.28 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 122.128 -0.357 . . . . 0.0 110.628 178.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 79.3 mt -58.07 -51.75 68.38 Favored 'General case' 0 N--CA 1.457 -0.099 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 55.1 mtt -51.99 -52.91 47.37 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 122.499 0.32 . . . . 0.0 110.467 177.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -55.23 -49.59 71.59 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.335 0.654 . . . . 0.0 111.672 178.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -57.95 -52.04 67.14 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 122.881 0.473 . . . . 0.0 111.119 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.8 mt -65.75 -45.22 83.39 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 123.533 0.733 . . . . 0.0 110.347 -177.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -72.92 76.39 1.17 Allowed 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.724 1.209 . . . . 0.0 109.635 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.4 -32.48 1.37 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.961 1.304 . . . . 0.0 113.198 172.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -67.92 -20.09 65.06 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.986 0.915 . . . . 0.0 113.25 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? 69.27 -53.95 0.58 Allowed 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 128.425 2.69 . . . . 0.0 112.222 -175.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -65.3 106.85 1.44 Allowed 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 105.958 -1.867 . . . . 0.0 105.958 166.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -38.42 100.43 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 126.406 1.883 . . . . 0.0 112.617 -176.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -145.08 74.46 1.41 Allowed 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 127.069 2.148 . . . . 0.0 106.974 174.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.6 t -90.48 114.37 27.94 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 N-CA-C 107.07 -1.455 . . . . 0.0 107.07 -173.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -90.13 165.99 13.66 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 -177.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -52.37 -36.49 53.93 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 121.743 -0.598 . . . . 0.0 112.482 178.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -52.5 -50.34 62.98 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.431 -0.793 . . . . 0.0 110.585 171.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -63.22 -43.7 97.35 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.63 -0.508 . . . . 0.0 109.63 179.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -52.52 -46.35 66.67 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.063 0.545 . . . . 0.0 110.779 175.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 22.6 mm -59.47 -50.04 81.37 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 O-C-N 121.719 -0.613 . . . . 0.0 110.735 177.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.9 p -61.18 -32.16 71.91 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 120.734 -1.228 . . . . 0.0 111.492 174.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.22 -43.3 98.5 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 175.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.58 -53.71 50.97 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 172.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -43.4 -55.51 5.15 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 123.813 0.72 . . . . 0.0 111.576 174.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.36 -53.43 55.04 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.416 0.686 . . . . 0.0 112.232 -178.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 53.7 mt -55.9 -38.51 70.3 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 124.49 1.116 . . . . 0.0 110.749 -178.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.65 -54.74 17.15 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 171.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 56.2 ttp -52.9 -40.19 63.32 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.404 1.082 . . . . 0.0 112.535 -173.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 40.2 pt -57.43 -28.61 31.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 CA-C-N 118.57 0.623 . . . . 0.0 111.871 177.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -75.54 66.13 1.87 Allowed 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 168.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -74.31 172.93 10.96 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 127.034 2.134 . . . . 0.0 111.817 -168.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 68.0 -65.41 0.25 Allowed 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 126.328 1.851 . . . . 0.0 110.533 -174.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -41.44 -50.78 3.87 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 125.841 1.657 . . . . 0.0 112.398 -176.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.531 0.24 0 C-N-CA 122.941 0.496 . . . . 0.0 110.777 173.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 N--CA 1.45 -0.45 0 CA-C-O 117.998 -1.001 . . . . 0.0 109.023 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_exo -37.09 -54.77 1.01 Allowed 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 124.944 3.763 . . . . 0.0 115.457 -170.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.88 -51.08 68.81 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 122.143 -0.348 . . . . 0.0 110.4 178.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -65.97 -40.63 91.41 Favored 'General case' 0 N--CA 1.455 -0.211 0 O-C-N 121.901 -0.499 . . . . 0.0 111.012 -178.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.32 -43.94 79.47 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 173.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.2 -47.23 68.47 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 122.587 0.355 . . . . 0.0 110.397 -176.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 18.2 mm -52.45 -51.89 30.03 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 171.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.51 -52.7 27.76 Favored Glycine 0 CA--C 1.528 0.889 0 C-N-CA 124.616 1.103 . . . . 0.0 111.438 178.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.8 tp -57.49 -53.19 61.0 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 122.416 -0.461 . . . . 0.0 110.142 178.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 55.4 tp -55.22 -60.3 3.58 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.974 0.909 . . . . 0.0 111.035 -177.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.1 pp -64.2 -39.25 84.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 C-N-CA 123.016 0.526 . . . . 0.0 110.339 -176.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.01 -56.13 27.06 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 178.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 15.0 mm -64.98 -41.75 92.93 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 O-C-N 121.84 -0.8 . . . . 0.0 109.799 -178.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -52.95 -51.74 60.41 Favored 'General case' 0 CA--C 1.528 0.099 0 O-C-N 122.023 -0.423 . . . . 0.0 110.705 174.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.98 -38.66 79.63 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 123.843 0.857 . . . . 0.0 110.124 175.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -60.0 -47.47 85.69 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 118.484 0.584 . . . . 0.0 109.752 -176.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -64.2 -66.81 0.49 Allowed 'General case' 0 C--O 1.226 -0.178 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 170.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 19.0 m -55.51 -16.43 3.84 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 -169.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.75 -25.9 31.1 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 124.927 1.251 . . . . 0.0 113.876 178.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -71.57 94.16 1.29 Allowed 'General case' 0 C--N 1.342 0.261 0 CA-C-N 119.936 1.868 . . . . 0.0 108.78 177.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 76.92 -44.29 0.46 Allowed 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 127.027 2.131 . . . . 0.0 111.293 179.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.35 150.63 20.05 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.106 -1.198 . . . . 0.0 110.106 169.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -82.04 39.7 0.58 Allowed 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.363 -1.08 . . . . 0.0 111.913 -173.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt 71.06 -49.87 0.68 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.186 1.794 . . . . 0.0 113.536 174.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 48.6 t60 -79.34 -7.95 58.71 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.347 1.459 . . . . 0.0 112.482 -178.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 6.7 t -132.72 133.27 43.28 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 118.907 0.776 . . . . 0.0 110.909 -174.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 27.2 tp -94.41 102.19 14.16 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 105.818 -1.919 . . . . 0.0 105.818 170.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 93.8 p -123.13 172.6 8.45 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.856 1.262 . . . . 0.0 111.422 -169.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.9 tttm -28.53 -58.08 0.13 Allowed 'General case' 0 C--O 1.225 -0.219 0 C-N-CA 128.445 2.698 . . . . 0.0 114.833 -169.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -63.74 -50.2 70.03 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.535 0.683 . . . . 0.0 110.052 -172.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -59.14 -46.61 87.9 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.069 0.948 . . . . 0.0 109.832 178.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 89.3 mt -56.9 -49.98 73.92 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 119.052 -0.499 . . . . 0.0 110.599 176.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm -55.29 -51.2 67.46 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 118.612 0.642 . . . . 0.0 110.179 177.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -51.52 -58.11 7.21 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.475 0.58 . . . . 0.0 110.705 176.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 38.3 tp -51.21 -65.82 0.49 Allowed 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.65 0.38 . . . . 0.0 110.693 179.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 2.2 pp -59.76 -41.36 85.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 CA-C-O 119.047 -0.501 . . . . 0.0 111.289 -171.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -58.48 -46.25 87.02 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 119.305 0.957 . . . . 0.0 110.38 176.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.534 0.349 0 C-N-CA 120.109 -0.636 . . . . 0.0 110.457 179.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 49.4 tp . . . . . 0 CA--C 1.53 0.181 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 25.7 ttt -54.78 -49.09 71.77 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 122.993 0.517 . . . . 0.0 110.071 -179.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -57.62 -55.07 39.59 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 122.32 0.248 . . . . 0.0 110.706 176.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -53.12 -40.91 64.54 Favored 'General case' 0 CA--C 1.527 0.095 0 C-N-CA 125.166 1.386 . . . . 0.0 111.689 -177.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 78.5 mt -65.61 -61.36 2.13 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 171.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -48.55 -50.96 29.93 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.919 0.887 . . . . 0.0 112.445 -173.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -11.77 3.74 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -177.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -54.75 -39.17 68.04 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-N 118.97 0.805 . . . . 0.0 110.953 168.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -165.39 -63.02 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 121.964 0.888 . . . . 0.0 108.971 -170.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -176.32 -178.76 0.99 Allowed 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 129.345 3.058 . . . . 0.0 104.208 -174.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.37 54.16 0.42 Allowed 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 118.906 0.776 . . . . 0.0 110.379 169.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -147.57 70.64 1.17 Allowed 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 127.331 2.252 . . . . 0.0 107.203 -179.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 55.0 t -92.44 126.27 44.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 N-CA-C 106.795 -1.558 . . . . 0.0 106.795 -170.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -93.68 154.84 17.59 Favored 'General case' 0 N--CA 1.462 0.155 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 -177.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -47.78 -48.73 30.12 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.53 0.732 . . . . 0.0 112.806 -173.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -48.96 -47.54 43.8 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.635 -0.666 . . . . 0.0 111.699 173.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -66.53 -39.96 88.87 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -56.58 -49.68 74.18 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 119.05 -0.5 . . . . 0.0 111.304 174.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.46 -42.99 97.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-N 119.62 1.1 . . . . 0.0 110.293 177.472 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 17.7 m -58.3 -42.72 87.29 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.217 179.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -57.96 -50.45 73.34 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.1 1.36 . . . . 0.0 110.927 173.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 3.4 tt -50.95 -53.16 35.35 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 176.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -52.31 -53.18 32.64 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 124.125 0.869 . . . . 0.0 111.389 175.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.36 -42.24 70.08 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 124.183 0.993 . . . . 0.0 111.6 -178.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 53.3 mt -68.57 -62.13 1.53 Allowed 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 120.591 -0.443 . . . . 0.0 110.428 172.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.74 -40.42 69.29 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.193 0.597 . . . . 0.0 112.313 -169.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 4.2 ppp? -58.95 -24.06 62.18 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 118.521 -0.752 . . . . 0.0 112.553 -178.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 95.7 mt -51.48 -37.18 18.78 Favored 'Isoleucine or valine' 0 C--N 1.342 0.254 0 CA-C-N 119.253 0.933 . . . . 0.0 109.264 173.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -93.02 -54.36 3.76 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.762 0.825 . . . . 0.0 108.806 176.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.18 -24.55 64.86 Favored 'General case' 0 C--N 1.34 0.167 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -169.674 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -47.14 -36.06 8.0 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 123.514 0.725 . . . . 0.0 111.659 173.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -44.96 -42.97 8.68 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.282 0.633 . . . . 0.0 111.204 173.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 1.9 mp . . . . . 0 CA--C 1.534 0.328 0 C-N-CA 124.071 0.949 . . . . 0.0 111.38 176.37 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.535 0.377 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -54.52 -54.78 4.04 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 122.191 1.927 . . . . 0.0 111.921 173.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 60.0 tp -60.8 -44.32 96.99 Favored 'General case' 0 C--O 1.224 -0.262 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 178.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -57.79 -47.16 83.35 Favored 'General case' 0 N--CA 1.455 -0.18 0 O-C-N 122.342 -0.224 . . . . 0.0 110.664 -177.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -59.5 -41.78 90.68 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 119.693 -0.194 . . . . 0.0 110.688 173.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.24 -51.52 67.41 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.199 0.454 . . . . 0.0 110.434 -178.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 20.2 mm -53.09 -53.29 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 124.33 1.052 . . . . 0.0 109.009 174.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.05 -51.37 25.29 Favored Glycine 0 CA--C 1.526 0.775 0 C-N-CA 123.941 0.781 . . . . 0.0 111.392 178.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.8 tt -59.42 -56.98 15.1 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.501 0.72 . . . . 0.0 109.981 178.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 54.9 mt -57.53 -49.14 77.32 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 123.445 0.698 . . . . 0.0 111.528 -174.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.5 mm -56.16 -55.85 16.32 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.29 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 173.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.91 -58.85 8.02 Favored Glycine 0 CA--C 1.525 0.678 0 C-N-CA 124.242 0.925 . . . . 0.0 111.712 -176.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.4 tt -59.93 -51.05 77.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 CA-C-N 117.487 0.644 . . . . 0.0 110.121 -178.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -57.83 -38.37 75.48 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.996 0.903 . . . . 0.0 111.125 -178.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -62.57 -33.93 75.94 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 124.035 0.934 . . . . 0.0 111.707 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.13 -50.44 72.81 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 119.876 1.216 . . . . 0.0 109.963 177.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -67.92 -43.89 78.14 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.195 -178.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.7 m -52.82 -47.47 67.66 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.215 0.531 . . . . 0.0 111.324 173.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.81 -43.15 99.62 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 126.261 1.886 . . . . 0.0 112.635 -170.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -77.28 47.0 0.53 Allowed 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 118.548 1.174 . . . . 0.0 112.716 -177.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -179.05 -41.14 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 129.445 3.098 . . . . 0.0 106.133 177.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.14 -63.31 4.34 Favored Glycine 0 C--N 1.338 0.676 0 C-N-CA 124.158 0.885 . . . . 0.0 111.185 169.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -76.74 63.73 2.21 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.398 0.679 . . . . 0.0 111.275 -173.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -150.52 -131.33 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.015 0.926 . . . . 0.0 110.148 169.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 35.6 p-80 151.23 -21.6 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 130.254 3.422 . . . . 0.0 108.53 -171.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 36.2 p -92.67 171.89 8.71 Favored 'General case' 0 N--CA 1.437 -1.076 0 N-CA-C 103.962 -2.607 . . . . 0.0 103.962 166.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.9 mt -99.29 145.31 27.44 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 107.243 -1.392 . . . . 0.0 107.243 168.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.9 p -99.65 158.99 15.37 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.87 0.868 . . . . 0.0 109.15 174.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -48.5 -37.74 18.34 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.01 0.524 . . . . 0.0 110.938 172.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -50.99 -46.23 61.33 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.765 0.826 . . . . 0.0 111.271 174.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -63.09 -43.46 98.44 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 118.069 0.395 . . . . 0.0 110.732 179.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.9 mt -59.97 -48.95 79.59 Favored 'General case' 0 C--O 1.225 -0.219 0 C-N-CA 120.314 -0.554 . . . . 0.0 109.896 177.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -58.58 -42.99 89.31 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 122.678 0.391 . . . . 0.0 110.504 179.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -57.29 -54.07 50.91 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.29 0.636 . . . . 0.0 109.923 174.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.3 tp -57.49 -51.49 69.24 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.018 0.527 . . . . 0.0 111.069 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.5 mp -52.17 -48.17 43.16 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 O-C-N 122.0 -0.437 . . . . 0.0 110.286 176.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -60.59 -39.42 88.02 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.925 0.784 . . . . 0.0 111.916 176.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -59.63 -48.59 81.08 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.359 0.663 . . . . 0.0 110.773 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 . . . . . 0 C--O 1.237 0.421 0 CA-C-O 120.871 0.367 . . . . 0.0 111.245 172.258 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 . . . . . 0 N--CA 1.452 -0.37 0 CA-C-O 119.059 -0.496 . . . . 0.0 109.817 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.0 mt -73.47 -33.34 39.58 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 C-N-CA 119.484 -0.887 . . . . 0.0 112.37 -171.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 65.1 t -65.72 -49.69 75.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 O-C-N 121.317 -0.864 . . . . 0.0 108.909 174.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -54.29 -48.46 71.24 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 174.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.3 tt -52.5 -60.99 2.57 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.282 0.633 . . . . 0.0 109.835 177.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -50.73 -56.96 9.58 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -178.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -49.8 -62.1 1.75 Allowed 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 122.654 0.381 . . . . 0.0 111.301 -178.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -68.71 -43.56 75.76 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -170.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 61.0 tp -64.19 -48.07 77.33 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.497 0.719 . . . . 0.0 110.347 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -72.91 -60.75 2.08 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 122.742 0.417 . . . . 0.0 110.031 -175.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.7 tpp180 59.86 -67.34 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.111 1.765 . . . . 0.0 112.327 -169.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -143.33 7.34 1.54 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.486 1.114 . . . . 0.0 112.31 171.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -76.61 46.76 0.46 Allowed 'General case' 0 CA--C 1.534 0.348 0 O-C-N 120.321 -1.487 . . . . 0.0 110.987 176.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -77.97 40.0 0.31 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.358 1.063 . . . . 0.0 110.645 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -134.06 -72.64 0.49 Allowed 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 125.861 1.664 . . . . 0.0 106.672 -174.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -140.27 144.01 36.22 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 125.963 1.705 . . . . 0.0 107.498 168.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 71.6 t -111.34 136.74 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 126.02 1.728 . . . . 0.0 106.634 172.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -92.54 142.7 27.11 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -173.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -48.53 -39.78 24.57 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.998 -0.439 . . . . 0.0 111.262 171.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -50.15 -43.88 52.28 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.609 -0.682 . . . . 0.0 111.371 172.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -69.81 -39.89 76.25 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 118.717 -0.659 . . . . 0.0 110.247 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -55.1 -48.76 73.14 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.082 0.856 . . . . 0.0 110.437 173.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 32.0 mm -59.06 -56.67 15.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 O-C-N 121.904 -0.497 . . . . 0.0 110.752 175.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 29.1 m -57.42 -38.72 74.8 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 121.812 -0.555 . . . . 0.0 110.401 -176.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -57.26 -45.51 83.95 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.422 1.489 . . . . 0.0 111.034 173.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.4 tt -54.55 -51.8 64.08 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 174.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.59 -53.32 17.24 Favored Glycine 0 CA--C 1.53 0.976 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.814 174.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.16 -53.5 57.35 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.154 0.982 . . . . 0.0 110.938 -178.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.7 mp -55.1 -51.01 67.73 Favored 'General case' 0 CA--C 1.527 0.083 0 O-C-N 122.093 -0.379 . . . . 0.0 110.398 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.31 -47.72 80.79 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 121.19 -0.204 . . . . 0.0 111.321 178.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 28.1 ttt -57.52 -42.31 82.56 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.827 0.851 . . . . 0.0 111.282 178.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 15.8 mm -66.94 -44.84 88.41 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 124.064 0.946 . . . . 0.0 110.4 177.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.9 m-30 -55.33 -44.61 76.05 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 174.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 67.01 -68.05 0.15 Allowed 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 126.457 1.903 . . . . 0.0 114.166 167.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -58.12 -50.88 71.93 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.539 0.736 . . . . 0.0 109.067 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.85 -52.1 63.86 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.16 176.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 33.9 tp . . . . . 0 N--CA 1.456 -0.129 0 C-N-CA 123.069 0.547 . . . . 0.0 110.066 178.532 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 7.0 p . . . . . 0 N--CA 1.449 -0.497 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -74.91 71.35 4.96 Favored 'Trans proline' 0 N--CA 1.454 -0.794 0 C-N-CA 123.118 2.545 . . . . 0.0 109.288 178.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 14.2 tp -57.69 -32.95 67.85 Favored 'General case' 0 N--CA 1.454 -0.239 0 O-C-N 121.697 -0.627 . . . . 0.0 110.171 -177.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -53.0 -45.94 68.13 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.815 -0.553 . . . . 0.0 112.42 170.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.16 -37.82 86.58 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 176.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.63 -50.74 71.32 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 121.323 0.582 . . . . 0.0 110.198 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 68.5 mt -55.3 -47.47 77.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 124.571 1.148 . . . . 0.0 108.687 174.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.64 -48.93 35.02 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 123.88 0.753 . . . . 0.0 111.955 173.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.54 -52.41 65.67 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.529 0.732 . . . . 0.0 109.807 179.018 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -55.5 -52.07 64.91 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.909 0.884 . . . . 0.0 110.378 -179.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 24.1 mt -49.64 -51.8 14.3 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 C-N-CA 125.03 1.332 . . . . 0.0 109.822 172.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -47.48 -64.69 2.72 Favored Glycine 0 CA--C 1.523 0.563 0 C-N-CA 124.565 1.079 . . . . 0.0 110.849 178.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 6.6 tp -58.34 -48.31 85.36 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 CA-C-N 117.311 0.556 . . . . 0.0 110.609 -178.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -47.53 -55.21 9.63 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 122.723 0.409 . . . . 0.0 111.107 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . 0.276 1.0 OUTLIER -80.23 -1.26 39.83 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -174.691 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt -66.72 -53.41 33.74 Favored 'General case' 0 C--N 1.34 0.177 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 167.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -66.11 -47.76 73.12 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.456 172.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 2.0 m -99.75 43.17 1.07 Allowed 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.078 0.951 . . . . 0.0 111.879 -169.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -179.82 -61.59 0.08 OUTLIER Glycine 0 C--N 1.333 0.393 0 O-C-N 121.086 -1.009 . . . . 0.0 111.403 179.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -73.33 71.71 1.26 Allowed 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 177.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 63.74 -155.59 0.32 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.952 1.301 . . . . 0.0 108.23 -168.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.94 -78.81 0.5 Allowed Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -176.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -152.23 163.88 38.52 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.48 1.112 . . . . 0.0 108.56 177.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -99.73 97.17 8.14 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.048 0.939 . . . . 0.0 111.033 -168.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 61.18 9.25 2.37 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.92 1.288 . . . . 0.0 113.178 170.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 33.1 p -145.8 154.16 41.72 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 129.572 3.149 . . . . 0.0 102.831 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 60.9 tp -101.34 145.19 29.23 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 -172.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 21.8 p -92.94 152.45 19.35 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -53.63 -39.35 64.9 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 168.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -49.55 -63.41 1.11 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.136 0.574 . . . . 0.0 111.566 173.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.33 -33.41 71.46 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 121.661 -0.649 . . . . 0.0 111.137 -173.49 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 42.2 tp -58.38 -50.19 74.55 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.925 -0.484 . . . . 0.0 109.858 172.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -59.94 -40.26 88.37 Favored 'General case' 0 N--CA 1.456 -0.173 0 O-C-N 121.791 -0.568 . . . . 0.0 110.758 175.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -54.83 -57.45 11.52 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.987 0.812 . . . . 0.0 109.321 175.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 62.6 tp -52.31 -55.59 20.45 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.271 0.628 . . . . 0.0 110.231 178.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 73.0 mt -54.12 -50.77 52.58 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.132 0 C-N-CA 123.015 0.526 . . . . 0.0 110.068 -178.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -55.21 -46.02 75.89 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 119.157 -0.449 . . . . 0.0 110.614 178.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 5.0 mmtm . . . . . 0 CA--C 1.53 0.183 0 CA-C-N 118.699 0.681 . . . . 0.0 111.105 175.986 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 62.8 tp . . . . . 0 N--CA 1.455 -0.192 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 85.7 mmm -52.32 -52.86 50.74 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.604 0.762 . . . . 0.0 110.15 178.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -54.49 -55.19 31.62 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 122.352 0.261 . . . . 0.0 110.483 178.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -53.07 -52.92 57.0 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.434 0.693 . . . . 0.0 111.083 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 97.0 mt -58.66 -39.3 80.23 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 122.669 0.387 . . . . 0.0 111.091 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -75.53 50.67 0.55 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.26 0.624 . . . . 0.0 112.682 -175.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -60.76 -30.51 70.06 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 121.14 -0.975 . . . . 0.0 109.014 168.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -50.24 -29.46 9.56 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.868 1.667 . . . . 0.0 112.799 169.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt 50.34 51.03 17.59 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.864 1.266 . . . . 0.0 111.055 -176.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -156.38 147.19 21.9 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 -177.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.05 -38.32 70.46 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.971 0.908 . . . . 0.0 110.863 176.263 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -93.05 104.1 16.34 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 174.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 27.8 m -93.06 146.18 6.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -87.83 159.46 18.4 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 121.541 -0.725 . . . . 0.0 110.051 -168.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -44.65 -41.69 6.88 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.934 1.294 . . . . 0.0 112.401 178.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 63.7 tp60 -53.87 -41.49 67.59 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.704 0.684 . . . . 0.0 111.368 175.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -63.47 -43.54 97.03 Favored 'General case' 0 N--CA 1.455 -0.222 0 O-C-N 121.505 -0.747 . . . . 0.0 109.211 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -58.98 -46.97 86.81 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 122.458 0.303 . . . . 0.0 110.846 174.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 13.7 mm -58.08 -46.98 88.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 O-C-N 121.555 -0.715 . . . . 0.0 110.444 176.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 13.2 m -59.76 -40.95 89.91 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.442 -0.787 . . . . 0.0 109.685 177.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -60.7 -41.42 95.17 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 119.114 -0.47 . . . . 0.0 111.046 173.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.9 tt -54.64 -50.24 68.62 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 173.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -49.87 -56.66 11.29 Favored Glycine 0 CA--C 1.526 0.78 0 C-N-CA 123.323 0.487 . . . . 0.0 112.126 174.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.71 -54.82 39.63 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 117.721 0.76 . . . . 0.0 110.914 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 49.7 tp -52.43 -47.95 66.04 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.682 1.193 . . . . 0.0 110.272 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.13 -49.86 76.27 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 122.179 -0.325 . . . . 0.0 110.886 175.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 91.0 mmm -61.61 -26.03 67.72 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.339 0.656 . . . . 0.0 112.677 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 87.0 mt -52.17 -37.28 22.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 CA-C-N 120.05 1.295 . . . . 0.0 109.336 169.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -91.48 26.2 2.37 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.847 0.859 . . . . 0.0 111.86 178.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -45.3 -40.15 7.37 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 124.46 1.104 . . . . 0.0 112.076 177.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -55.63 -47.91 75.82 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.149 0.58 . . . . 0.0 110.873 177.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.37 -45.44 46.95 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.192 0.597 . . . . 0.0 110.064 -178.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 6.4 tt . . . . . 0 CA--C 1.53 0.176 0 C-N-CA 124.689 1.196 . . . . 0.0 109.508 175.865 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.8 ptt? . . . . . 0 N--CA 1.477 0.89 0 CA-C-O 120.186 0.041 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.84 120.75 6.14 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 109.003 -0.739 . . . . 0.0 109.003 172.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.0 p -169.06 162.22 7.81 Favored Pre-proline 0 N--CA 1.451 -0.382 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -169.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -51.75 -45.64 36.95 Favored 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 122.773 2.315 . . . . 0.0 111.224 168.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 60.9 tp -51.73 -58.78 5.41 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 123.484 0.713 . . . . 0.0 110.168 174.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -57.44 -46.97 82.99 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 111.477 0.177 . . . . 0.0 111.477 -177.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -54.63 -45.43 73.72 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 122.757 0.423 . . . . 0.0 110.248 175.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.88 -56.39 12.07 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 -174.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 18.4 pt -60.96 -41.05 87.57 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.35 -57.01 16.74 Favored Glycine 0 CA--C 1.526 0.733 0 C-N-CA 124.251 0.929 . . . . 0.0 111.068 176.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.7 mt -52.89 -48.81 66.89 Favored 'General case' 0 C--O 1.227 -0.126 0 CA-C-N 117.074 0.437 . . . . 0.0 110.206 175.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.0 tt -60.1 -57.38 13.07 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 120.515 0.198 . . . . 0.0 111.437 -175.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.8 pt -64.78 -38.24 82.21 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 O-C-N 121.527 -0.733 . . . . 0.0 110.612 -178.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.73 -58.85 12.11 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 111.059 -0.817 . . . . 0.0 111.059 177.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -59.51 -40.45 81.9 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 O-C-N 122.014 -0.698 . . . . 0.0 109.158 -178.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -53.61 -52.73 58.91 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 118.484 0.584 . . . . 0.0 111.552 171.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -59.43 -33.01 70.73 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 122.965 0.506 . . . . 0.0 111.11 -178.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -71.17 -61.52 1.74 Allowed 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 173.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -43.47 -47.08 7.06 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 125.699 1.6 . . . . 0.0 111.602 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.0 m -39.18 -38.48 0.5 Allowed 'General case' 0 C--O 1.238 0.456 0 C-N-CA 126.266 1.826 . . . . 0.0 113.612 176.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -150.18 77.71 0.23 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 109.099 -1.6 . . . . 0.0 109.099 175.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -52.29 -38.64 58.93 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 119.011 1.405 . . . . 0.0 109.977 170.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -47.97 -39.53 19.69 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.678 1.591 . . . . 0.0 113.032 170.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 174.65 117.94 0.49 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 104.645 -3.382 . . . . 0.0 104.645 -173.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -57.68 85.09 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -166.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -65.63 155.51 35.66 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.545 1.138 . . . . 0.0 108.737 168.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -93.59 -8.82 40.1 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.401 0.681 . . . . 0.0 111.697 -178.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.0 p -126.58 158.89 35.07 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 127.422 2.289 . . . . 0.0 105.037 175.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.2 tp -91.44 126.24 36.46 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 122.835 0.454 . . . . 0.0 109.973 -167.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.5 p -93.96 147.29 23.24 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 122.867 0.467 . . . . 0.0 111.785 -175.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -50.33 -40.95 50.42 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 123.2 0.6 . . . . 0.0 111.377 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -46.9 -57.26 5.13 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.156 0.582 . . . . 0.0 110.536 175.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -72.19 -37.24 69.33 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.493 -173.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 67.3 tp -53.38 -49.25 67.59 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 120.893 0.378 . . . . 0.0 110.305 170.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -65.23 -39.76 93.18 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.611 0.765 . . . . 0.0 110.512 -178.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -55.72 -53.2 59.57 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 121.378 -0.826 . . . . 0.0 110.464 170.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 66.2 tp -54.18 -50.7 66.43 Favored 'General case' 0 C--O 1.223 -0.309 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.0 mt -54.52 -54.17 24.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 C-N-CA 122.931 0.492 . . . . 0.0 110.101 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -55.27 -49.81 71.13 Favored 'General case' 0 CA--C 1.531 0.227 0 O-C-N 121.771 -0.581 . . . . 0.0 111.221 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -58.31 -50.87 72.09 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 120.838 0.351 . . . . 0.0 110.447 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -55.21 -39.44 69.66 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 124.686 1.194 . . . . 0.0 110.799 177.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 72.2 mt -63.04 -55.27 27.02 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 118.649 0.658 . . . . 0.0 109.352 176.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 47.4 m 63.59 -69.95 0.07 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.384 1.474 . . . . 0.0 110.315 -169.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.475 ' H ' HD13 ' A' ' 44' ' ' ILE . 0.1 OUTLIER -133.67 16.06 1.36 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 C-N-CA 125.455 1.502 . . . . 0.0 111.482 170.72 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.79 62.17 1.96 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 108.939 -1.664 . . . . 0.0 108.939 -172.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 p -78.1 50.71 0.92 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.604 1.162 . . . . 0.0 112.455 -174.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 42.4 mmtm 39.53 -75.91 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 129.848 3.259 . . . . 0.0 115.516 169.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 63.8 tp -48.97 -46.91 44.33 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 123.573 0.749 . . . . 0.0 109.236 171.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -61.41 -31.55 71.47 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 122.783 0.433 . . . . 0.0 111.592 177.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -71.14 -45.23 63.96 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 120.861 -1.15 . . . . 0.0 110.316 176.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.86 -42.94 69.13 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 121.37 0.605 . . . . 0.0 109.492 171.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -59.29 -39.12 81.96 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.581 0.753 . . . . 0.0 110.41 174.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.4 mt -68.88 -42.06 82.35 Favored 'Isoleucine or valine' 0 C--N 1.341 0.221 0 CA-C-N 119.216 0.916 . . . . 0.0 110.216 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 70.6 t -56.47 -52.66 50.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 175.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -54.18 -56.62 16.44 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 177.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 36.2 tp -47.46 -63.12 1.13 Allowed 'General case' 0 C--O 1.226 -0.17 0 C-N-CA 124.783 1.233 . . . . 0.0 109.326 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 49.3 ttp -55.8 -53.5 55.88 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 123.252 0.621 . . . . 0.0 110.213 -175.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -55.91 -53.91 51.12 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 122.221 0.208 . . . . 0.0 111.167 -178.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -65.85 -45.26 82.87 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 122.206 -0.309 . . . . 0.0 111.041 -175.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.5 tp -77.66 -55.56 5.25 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.832 0.853 . . . . 0.0 111.319 -169.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -84.09 67.63 9.77 Favored 'General case' 0 C--O 1.231 0.108 0 O-C-N 121.798 -0.564 . . . . 0.0 110.619 -169.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -75.08 72.63 2.21 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.273 0.559 . . . . 0.0 109.786 177.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 78.04 -53.87 0.5 Allowed 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 126.938 2.095 . . . . 0.0 109.577 -178.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -58.87 101.21 0.08 Allowed 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 170.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -126.1 -53.82 1.51 Allowed 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 125.053 1.341 . . . . 0.0 110.762 -172.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.444 ' NE2' ' H ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -44.59 -45.52 9.52 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 122.407 1.098 . . . . 0.0 111.423 173.439 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.444 ' H ' ' NE2' ' A' ' 66' ' ' GLN . 32.7 tt0 -142.86 138.7 30.48 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 105.185 -2.154 . . . . 0.0 105.185 169.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.1 t -119.44 142.14 36.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 C-N-CA 125.827 1.651 . . . . 0.0 107.794 -173.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -92.99 144.36 25.33 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 121.364 0.602 . . . . 0.0 110.879 -170.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -42.71 -42.81 3.65 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.186 1.394 . . . . 0.0 113.528 176.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -54.73 -43.62 72.82 Favored 'General case' 0 C--O 1.233 0.217 0 O-C-N 121.358 -0.839 . . . . 0.0 111.064 178.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -64.03 -46.04 86.23 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 -178.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -54.06 -46.08 71.87 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 122.773 0.429 . . . . 0.0 111.033 173.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 12.1 mm -58.4 -52.62 57.08 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 118.602 0.637 . . . . 0.0 110.741 177.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.1 p -59.28 -38.29 79.79 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 120.57 -1.331 . . . . 0.0 111.044 177.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -60.79 -38.98 87.16 Favored 'General case' 0 CA--C 1.529 0.172 0 O-C-N 121.96 -0.463 . . . . 0.0 111.31 173.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.2 tt -53.3 -52.65 58.41 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 173.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.51 -57.92 13.96 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 112.093 -0.403 . . . . 0.0 112.093 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.5 -43.72 80.01 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.432 0.693 . . . . 0.0 111.707 -177.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.2 tp -62.73 -58.75 6.38 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.679 0.792 . . . . 0.0 108.891 177.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -52.69 -38.09 60.01 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.476 0.71 . . . . 0.0 111.463 -178.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 46.0 tpp -50.66 -37.22 39.58 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.319 0.509 . . . . 0.0 112.095 175.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 46.5 mm -58.15 -32.77 45.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 O-C-N 121.37 -0.831 . . . . 0.0 110.66 178.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -75.0 7.39 3.27 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.752 0.821 . . . . 0.0 111.192 179.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -5.2 -68.06 0.0 OUTLIER 'General case' 0 C--N 1.345 0.383 0 C-N-CA 129.461 3.105 . . . . 0.0 115.767 175.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -56.12 -51.91 66.24 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 118.846 0.748 . . . . 0.0 110.682 -177.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.76 -38.07 76.63 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.156 0.582 . . . . 0.0 110.081 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 54.1 tp -55.18 -54.46 43.08 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 122.998 0.519 . . . . 0.0 110.972 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.8 pttm -74.02 -45.59 48.81 Favored 'General case' 0 N--CA 1.462 0.125 0 C-N-CA 120.146 -0.622 . . . . 0.0 110.9 176.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.22 0 CA-C-O 117.203 -1.887 . . . . 0.0 110.513 -173.96 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 86.7 mmm . . . . . 0 N--CA 1.475 0.793 0 N-CA-C 110.437 -0.209 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.59 -19.02 64.44 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -41.38 -49.21 9.14 Favored Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 115.468 1.655 . . . . 0.0 115.468 -169.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -59.88 -44.98 26.79 Favored 'Trans proline' 0 CA--C 1.535 0.526 0 C-N-CA 122.089 1.859 . . . . 0.0 111.644 178.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.65 -50.17 72.25 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 179.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -57.25 -40.95 78.69 Favored 'General case' 0 C--O 1.224 -0.272 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 177.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.69 -45.14 81.96 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 122.973 0.509 . . . . 0.0 110.117 172.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.51 -46.41 86.21 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.942 -0.474 . . . . 0.0 110.744 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 27.3 mm -53.98 -48.52 63.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 172.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.65 -52.67 24.07 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 125.018 1.294 . . . . 0.0 111.114 176.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 80.0 mt -59.15 -48.92 79.82 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 117.751 0.776 . . . . 0.0 111.039 176.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 6.0 tt -55.8 -49.21 73.81 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 118.431 0.559 . . . . 0.0 111.455 -178.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 16.9 mm -54.63 -51.19 53.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 C-N-CA 123.997 0.919 . . . . 0.0 108.794 171.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -41.03 -53.58 3.85 Favored Glycine 0 CA--C 1.526 0.746 0 C-N-CA 126.182 1.848 . . . . 0.0 111.534 174.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 44.5 mm -68.17 -62.99 1.03 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 118.016 0.908 . . . . 0.0 110.33 177.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -51.37 -47.84 62.7 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.439 0.696 . . . . 0.0 112.423 -168.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 11.4 p-80 -62.49 -25.92 68.26 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -172.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -59.95 -40.41 88.88 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 118.831 0.742 . . . . 0.0 109.84 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -73.88 -58.9 2.99 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 174.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.7 t -55.98 -33.29 64.69 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.154 0.582 . . . . 0.0 112.494 -169.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.92 -36.17 55.12 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 121.636 -0.665 . . . . 0.0 112.039 174.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 34.1 mtmm -77.59 66.5 3.32 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.655 -0.909 . . . . 0.0 110.353 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 65.61 22.82 11.71 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 126.421 1.888 . . . . 0.0 113.759 173.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.51 51.93 4.04 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 110.381 -1.088 . . . . 0.0 110.381 171.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -60.09 152.41 24.29 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.487 0.715 . . . . 0.0 110.425 -173.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt 66.56 20.57 10.81 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.954 1.302 . . . . 0.0 111.89 -176.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 9.6 m80 68.24 62.86 0.37 Allowed 'General case' 0 C--O 1.234 0.275 0 C-N-CA 124.73 1.212 . . . . 0.0 109.298 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 35.7 p -130.91 173.14 11.27 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 124.129 0.972 . . . . 0.0 109.39 -176.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 50.8 tp -128.61 102.05 6.43 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 129.434 3.094 . . . . 0.0 105.332 -177.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 94.1 p -92.52 167.15 12.14 Favored 'General case' 0 CA--C 1.529 0.152 0 O-C-N 121.954 -0.466 . . . . 0.0 111.867 -169.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.39 -46.92 13.52 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.758 1.223 . . . . 0.0 111.48 179.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -50.92 -57.83 7.54 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.195 0.998 . . . . 0.0 109.739 176.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -59.81 -42.93 94.58 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.924 -176.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 63.0 mt -56.5 -56.6 19.25 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 118.532 -0.747 . . . . 0.0 110.466 175.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -58.82 -38.39 78.52 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.873 1.215 . . . . 0.0 111.288 -176.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -59.54 -53.72 54.79 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 121.51 -0.744 . . . . 0.0 110.846 173.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 68.5 tp -54.08 -52.24 61.59 Favored 'General case' 0 C--O 1.225 -0.222 0 C-N-CA 122.727 0.411 . . . . 0.0 110.339 178.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 9.9 mm -50.52 -52.78 14.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 C-N-CA 124.47 1.108 . . . . 0.0 110.204 177.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -54.39 -50.9 66.45 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.051 0.387 . . . . 0.0 110.862 177.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.51 -42.57 96.69 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.021 0.373 . . . . 0.0 111.863 -179.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -60.12 -39.55 86.65 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.04 0.536 . . . . 0.0 111.101 173.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 35.0 tp -72.93 73.14 1.13 Allowed 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.598 -0.689 . . . . 0.0 110.275 -176.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 15.3 t -146.45 -153.93 0.52 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.864 1.266 . . . . 0.0 109.773 -178.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 7.0 tp -70.06 65.62 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 126.981 2.112 . . . . 0.0 113.182 -172.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -170.36 39.33 0.19 Allowed Glycine 0 CA--C 1.526 0.766 0 N-CA-C 107.795 -2.122 . . . . 0.0 107.795 169.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.61 47.96 0.18 Allowed 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 129.245 3.018 . . . . 0.0 114.641 -165.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -149.0 -71.86 0.19 Allowed 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 106.012 -1.848 . . . . 0.0 106.012 169.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.23 -53.68 55.32 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 123.433 0.693 . . . . 0.0 109.788 176.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 15.8 tp60 -64.34 -31.48 72.71 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 122.094 -0.379 . . . . 0.0 110.453 -175.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -75.02 -42.21 57.79 Favored 'General case' 0 N--CA 1.456 -0.142 0 O-C-N 121.868 -0.52 . . . . 0.0 111.175 178.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.13 -44.19 67.54 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 170.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -61.92 -38.55 88.84 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 117.915 -1.041 . . . . 0.0 111.582 173.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 42.7 mt -58.12 -49.88 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-N 120.767 1.621 . . . . 0.0 109.583 174.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 92.4 t -58.14 -52.1 62.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -57.68 -48.49 79.37 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 122.69 0.396 . . . . 0.0 110.825 -179.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 11.8 tp -53.02 -61.13 2.49 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.461 1.105 . . . . 0.0 109.122 176.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -50.69 -55.38 16.84 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.07 0.548 . . . . 0.0 109.556 -176.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -54.96 -60.15 3.77 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 122.257 0.223 . . . . 0.0 111.184 179.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -56.27 -43.6 78.93 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 123.829 0.852 . . . . 0.0 111.437 -172.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 11.1 mp -76.31 -41.57 48.12 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 119.605 -0.236 . . . . 0.0 111.051 -178.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -78.26 60.15 2.45 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -171.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -80.74 64.18 5.42 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 105.013 -2.218 . . . . 0.0 105.013 165.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 69.67 -41.24 0.48 Allowed 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.817 2.047 . . . . 0.0 113.016 -173.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -70.45 23.7 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 -169.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -48.54 -32.36 7.89 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 120.105 1.32 . . . . 0.0 112.575 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . 0.412 ' NE2' ' H ' ' B' ' 66' ' ' GLN . 4.1 mp0 -58.3 -47.51 83.44 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 125.266 1.427 . . . . 0.0 111.074 179.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -146.62 93.6 2.31 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 126.015 1.726 . . . . 0.0 108.53 -178.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 90.9 t -92.08 141.96 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 N-CA-C 106.061 -1.829 . . . . 0.0 106.061 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -91.35 147.03 23.32 Favored 'General case' 0 C--N 1.332 -0.174 0 O-C-N 120.952 -1.092 . . . . 0.0 109.712 -171.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -42.12 -45.11 3.89 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 174.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -57.36 -33.54 67.89 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.153 -0.967 . . . . 0.0 111.959 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -71.34 -40.36 70.77 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 121.512 -0.743 . . . . 0.0 109.969 176.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -57.11 -45.92 83.04 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.857 -0.527 . . . . 0.0 110.41 171.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 22.8 mm -57.21 -48.43 82.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 O-C-N 121.29 -0.881 . . . . 0.0 110.697 172.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 29.4 m -55.94 -39.83 72.29 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 121.798 -0.564 . . . . 0.0 110.443 176.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -60.88 -42.81 98.68 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.325 0.65 . . . . 0.0 111.44 174.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 tt -53.06 -48.53 67.62 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 172.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.56 -57.65 8.17 Favored Glycine 0 CA--C 1.531 1.067 0 N-CA-C 111.471 -0.651 . . . . 0.0 111.471 170.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.04 -41.67 71.69 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 125.333 1.453 . . . . 0.0 112.04 -176.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 78.4 mt -56.62 -59.23 5.3 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 173.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.86 -39.93 75.22 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.997 -0.44 . . . . 0.0 111.374 -179.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 47.4 mtt -56.93 -14.01 3.17 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -178.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 2.0 pp -57.42 -18.95 9.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 CA-C-N 119.832 1.196 . . . . 0.0 112.065 169.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 12.8 m-30 -63.73 78.25 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.834 0.743 . . . . 0.0 109.877 169.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.92 151.88 6.21 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 124.341 1.056 . . . . 0.0 112.438 -176.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 66.57 -68.39 0.14 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 125.659 1.584 . . . . 0.0 110.091 -171.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -46.59 -50.01 18.07 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.901 1.281 . . . . 0.0 111.609 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 97.4 mt -119.09 38.67 3.76 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.263 1.025 . . . . 0.0 109.709 173.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 22.8 mtmm 69.55 -68.13 0.2 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.401 1.48 . . . . 0.0 110.919 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.241 0 CA-C-O 117.327 -1.818 . . . . 0.0 110.446 -172.874 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 82.2 mtp . . . . . 0 N--CA 1.476 0.83 0 CA-C-O 120.633 0.254 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.4 73.18 0.99 Allowed 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.663 0.785 . . . . 0.0 110.205 -178.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -32.99 -57.41 0.51 Allowed Pre-proline 0 CA--C 1.54 0.567 0 C-N-CA 126.519 1.928 . . . . 0.0 115.267 -175.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -55.2 -50.64 12.37 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 122.265 1.977 . . . . 0.0 112.6 177.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.8 mp -60.66 -42.81 97.77 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -60.15 -54.63 43.54 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 122.398 0.279 . . . . 0.0 110.804 -177.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -63.83 -33.21 75.16 Favored 'General case' 0 CA--C 1.531 0.212 0 O-C-N 122.072 -0.392 . . . . 0.0 110.723 178.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.4 -51.91 63.83 Favored 'General case' 0 C--N 1.34 0.162 0 CA-C-N 118.398 0.545 . . . . 0.0 109.75 178.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.2 mm -49.67 -59.02 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.339 0.152 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 172.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.52 -54.97 9.82 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.649 -0.58 . . . . 0.0 111.649 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.26 -57.81 10.04 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.532 0.733 . . . . 0.0 110.197 -176.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 55.8 mt -61.68 -49.42 76.57 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 123.117 0.567 . . . . 0.0 111.066 -173.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.2 mp -70.37 -33.91 55.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -178.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.11 -54.39 31.89 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 170.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.9 mt -52.57 -51.86 31.14 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 117.532 0.666 . . . . 0.0 109.51 175.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -51.09 -46.3 61.76 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 121.205 0.526 . . . . 0.0 110.885 176.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 54.6 m80 -70.25 -10.94 60.41 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -57.15 -38.96 74.3 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 120.698 1.59 . . . . 0.0 108.098 167.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -81.63 -70.07 0.57 Allowed 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.154 0.982 . . . . 0.0 110.421 170.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.8 m -68.2 -5.95 20.86 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 -168.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.06 -36.38 93.38 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.366 -1.094 . . . . 0.0 110.366 169.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -63.0 -50.42 70.82 Favored 'General case' 0 C--N 1.341 0.209 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 172.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -81.03 54.2 2.16 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 122.78 0.432 . . . . 0.0 110.902 178.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.79 158.79 23.59 Favored Glycine 0 CA--C 1.531 1.078 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 175.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . 0.29 0.7 OUTLIER 68.69 -44.3 0.52 Allowed 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 126.56 1.944 . . . . 0.0 113.124 -175.74 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -71.49 -50.74 28.55 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 171.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 53.85 53.06 11.87 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.097 1.359 . . . . 0.0 110.65 -176.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.9 p -134.68 172.91 12.28 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 127.621 2.369 . . . . 0.0 105.985 174.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.6 tt -124.44 105.7 9.62 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.757 1.223 . . . . 0.0 108.136 -171.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.8 p -92.79 167.83 11.6 Favored 'General case' 0 N--CA 1.462 0.174 0 O-C-N 120.861 -1.149 . . . . 0.0 111.39 -173.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.7 pttt -33.46 -40.05 0.06 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.616 1.966 . . . . 0.0 114.714 172.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -61.8 -56.75 16.2 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.855 0.836 . . . . 0.0 110.279 177.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.4 mp0 -62.16 -39.6 93.17 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 124.215 1.006 . . . . 0.0 110.204 178.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.0 tp -58.27 -52.91 63.6 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 176.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -53.73 -49.09 68.9 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 177.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 54.1 tt0 -51.98 -56.62 13.11 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 122.644 0.378 . . . . 0.0 110.886 177.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 49.3 tp -55.29 -59.23 5.08 Favored 'General case' 0 N--CA 1.458 -0.049 0 C-N-CA 123.768 0.827 . . . . 0.0 110.301 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 33.9 mm -53.37 -51.66 38.98 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 C-N-CA 123.766 0.826 . . . . 0.0 109.265 -177.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -52.08 -50.0 62.45 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.453 0.701 . . . . 0.0 110.609 177.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -59.77 -46.13 90.13 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 117.845 0.293 . . . . 0.0 111.349 178.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -64.08 -32.61 74.23 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 178.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.88 67.3 2.25 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.292 1.037 . . . . 0.0 110.098 -173.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.0 t -77.99 -161.89 0.29 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.864 0.865 . . . . 0.0 108.972 169.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.5 pt -75.38 47.3 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 O-C-N 121.278 -0.888 . . . . 0.0 111.27 177.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.58 50.16 4.18 Favored Glycine 0 CA--C 1.527 0.797 0 O-C-N 120.816 -1.178 . . . . 0.0 111.236 -176.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.3 p -56.04 -52.79 62.98 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 124.603 1.161 . . . . 0.0 109.524 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.88 76.06 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.152 1.381 . . . . 0.0 111.138 172.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.1 mt 74.65 -50.11 0.67 Allowed 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 126.835 2.054 . . . . 0.0 113.874 169.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -42.9 -48.19 5.78 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -170.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -64.1 -39.03 93.16 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 120.814 -1.179 . . . . 0.0 111.807 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.6 -39.28 87.57 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 173.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -61.92 -35.27 77.88 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 118.886 -0.578 . . . . 0.0 111.107 171.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.5 mm -66.4 -42.99 91.38 Favored 'Isoleucine or valine' 0 C--N 1.343 0.313 0 CA-C-N 119.854 1.207 . . . . 0.0 109.998 175.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 92.7 t -58.12 -46.68 88.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 O-C-N 121.493 -0.754 . . . . 0.0 109.981 173.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -56.39 -46.27 80.2 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.912 -0.493 . . . . 0.0 110.448 176.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.1 tp -57.58 -50.43 73.14 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 122.864 0.466 . . . . 0.0 110.171 176.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.1 ttt -52.68 -50.0 64.15 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 122.881 0.473 . . . . 0.0 110.145 178.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -57.85 -53.47 57.9 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 122.648 0.379 . . . . 0.0 111.082 176.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -51.12 -47.54 61.95 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 123.816 0.846 . . . . 0.0 111.005 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.97 -58.55 6.4 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 176.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -68.74 -15.41 63.5 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -169.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 32.3 ptt-85 -18.12 -58.18 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 128.013 2.525 . . . . 0.0 116.284 -172.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -85.24 44.12 1.06 Allowed 'General case' 0 CA--C 1.535 0.401 0 O-C-N 120.916 -1.115 . . . . 0.0 110.061 -174.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 74.7 tttt 43.3 32.74 0.51 Allowed 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.588 1.555 . . . . 0.0 110.966 -168.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -84.0 72.3 10.46 Favored 'General case' 0 C--O 1.224 -0.26 0 O-C-N 121.379 -0.825 . . . . 0.0 110.389 -168.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -23.88 13.42 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.87 0.868 . . . . 0.0 112.357 171.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -103.8 103.75 13.66 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 105.443 -2.058 . . . . 0.0 105.443 167.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.9 t -91.27 131.53 38.15 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 -170.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -92.2 139.09 30.97 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 106.471 -1.678 . . . . 0.0 106.471 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -39.4 -35.64 0.29 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.351 1.861 . . . . 0.0 113.145 172.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -51.09 -39.13 55.37 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 120.677 -1.264 . . . . 0.0 112.743 172.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.03 -36.92 83.16 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 120.946 -1.097 . . . . 0.0 111.173 174.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -60.85 -44.5 96.92 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 173.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.4 mp -56.15 -47.2 80.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 O-C-N 121.801 -0.562 . . . . 0.0 110.703 170.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.7 m -56.25 -47.64 78.11 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -51.46 -52.32 47.39 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.595 1.158 . . . . 0.0 110.765 172.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.1 tp -56.5 -52.38 64.95 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -51.51 -55.52 19.53 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 178.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.23 -55.86 29.22 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.355 0.662 . . . . 0.0 111.142 -178.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -60.27 -39.48 87.0 Favored 'General case' 0 CA--C 1.527 0.077 0 C-N-CA 122.748 0.419 . . . . 0.0 111.075 -175.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.45 -55.54 15.19 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 121.818 -0.551 . . . . 0.0 110.38 174.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 16.4 tpt -54.8 -43.76 73.17 Favored 'General case' 0 CA--C 1.528 0.105 0 C-N-CA 124.239 1.016 . . . . 0.0 111.631 -172.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.4 tp -60.59 -25.09 33.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-O 119.403 -0.332 . . . . 0.0 111.491 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -77.91 53.47 1.16 Allowed 'General case' 0 CA--C 1.536 0.44 0 O-C-N 121.095 -1.003 . . . . 0.0 109.732 171.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -49.31 -47.79 46.76 Favored 'General case' 0 CA--C 1.527 0.066 0 C-N-CA 125.321 1.448 . . . . 0.0 111.532 -170.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -62.82 -41.92 99.51 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.364 0.666 . . . . 0.0 110.406 -178.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.79 -41.73 82.72 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.3 tt -61.08 -56.06 25.3 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 123.072 0.549 . . . . 0.0 110.314 179.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -80.62 -30.67 36.75 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -172.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.232 0 CA-C-O 117.488 -1.729 . . . . 0.0 110.649 -170.508 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 53.0 mtt . . . . . 0 N--CA 1.474 0.74 0 N-CA-C 110.673 -0.121 . . . . 0.0 110.673 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 65.25 -67.0 0.13 Allowed 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 126.718 2.007 . . . . 0.0 112.755 177.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 15.3 m -163.12 87.18 1.31 Allowed Pre-proline 0 CA--C 1.532 0.271 0 C-N-CA 126.459 1.904 . . . . 0.0 106.601 179.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -38.76 -55.04 1.45 Allowed 'Trans proline' 0 N--CA 1.459 -0.552 1 C-N-CA 125.328 4.019 . . . . 0.0 115.354 -169.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -57.37 -42.32 81.88 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.862 -0.524 . . . . 0.0 112.297 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -71.3 -46.9 59.67 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 122.975 0.51 . . . . 0.0 109.734 -177.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -48.91 -49.11 41.58 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.297 0.639 . . . . 0.0 109.309 171.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.47 -57.25 8.72 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.75 0.42 . . . . 0.0 111.079 -174.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 13.2 tt -62.73 -39.52 85.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 120.728 -0.389 . . . . 0.0 109.992 -177.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.18 -53.18 46.68 Favored Glycine 0 CA--C 1.528 0.883 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 174.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -52.82 -54.83 28.66 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.899 0.879 . . . . 0.0 109.256 177.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 tt -53.91 -52.73 59.62 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.232 0.613 . . . . 0.0 110.796 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 60.9 mt -55.26 -52.74 42.35 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.233 0 C-N-CA 123.376 0.67 . . . . 0.0 109.878 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.96 -54.64 33.89 Favored Glycine 0 CA--C 1.529 0.932 0 N-CA-C 111.289 -0.724 . . . . 0.0 111.289 -178.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.6 mp -59.77 -43.56 91.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 O-C-N 122.088 -0.654 . . . . 0.0 110.084 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -60.02 -50.04 75.29 Favored 'General case' 0 N--CA 1.457 -0.097 0 CA-C-N 118.887 0.767 . . . . 0.0 110.946 177.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -52.17 -42.31 63.33 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.092 0.957 . . . . 0.0 109.974 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -70.5 -60.21 2.4 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -58.93 -38.16 78.34 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 125.022 1.329 . . . . 0.0 111.42 -169.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 10.8 t -72.56 58.77 0.43 Allowed 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.558 1.143 . . . . 0.0 109.547 171.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 44.42 44.45 8.02 Favored Glycine 0 CA--C 1.529 0.924 0 C-N-CA 125.628 1.585 . . . . 0.0 113.746 174.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 20.1 mtmm 54.44 31.1 14.0 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.972 0.909 . . . . 0.0 112.072 -178.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 64.59 -60.98 0.21 Allowed 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 128.104 2.562 . . . . 0.0 114.561 178.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -36.27 105.53 0.03 OUTLIER Glycine 0 CA--C 1.53 1.031 0 C-N-CA 125.14 1.352 . . . . 0.0 112.922 -171.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 23.8 t70 72.06 -55.38 0.67 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.865 1.666 . . . . 0.0 111.568 -174.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -74.58 56.56 0.69 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.546 0.738 . . . . 0.0 111.417 178.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -77.28 19.08 0.35 Allowed 'General case' 0 CA--C 1.539 0.544 0 O-C-N 120.823 -1.173 . . . . 0.0 112.147 -177.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 68.1 p -146.58 170.4 16.98 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 126.539 1.936 . . . . 0.0 106.424 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 10.9 mp -91.65 105.54 17.81 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 106.514 -1.661 . . . . 0.0 106.514 176.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 8.7 t -94.33 175.37 6.71 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.119 1.368 . . . . 0.0 110.595 173.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -26.82 -64.68 0.07 Allowed 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 128.127 2.571 . . . . 0.0 114.157 -171.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -58.88 -53.34 59.49 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 118.116 0.416 . . . . 0.0 110.071 -174.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -54.84 -46.06 74.57 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.506 0.722 . . . . 0.0 110.321 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.19 -57.9 9.77 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.245 0.618 . . . . 0.0 110.354 -178.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -53.92 -46.82 71.58 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 123.104 0.562 . . . . 0.0 110.352 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 52.0 tt0 -57.11 -47.96 79.79 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.508 0.723 . . . . 0.0 109.914 177.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 39.8 tp -60.59 -56.05 25.98 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -176.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 31.3 pt -60.08 -47.55 91.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.354 -174.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -64.67 -37.84 88.95 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 118.981 0.81 . . . . 0.0 111.051 -177.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -61.87 -48.36 80.89 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 118.159 0.436 . . . . 0.0 110.579 175.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -67.14 -27.26 67.16 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 178.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 15.4 tp -67.11 81.3 0.13 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.66 0.784 . . . . 0.0 110.79 -177.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . 0.458 HG23 ' HB2' ' B' ' 46' ' ' SER . 4.2 t -67.66 66.55 0.09 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.432 1.893 . . . . 0.0 110.704 173.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 9.4 pt -43.4 100.76 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 C-N-CA 127.185 2.194 . . . . 0.0 112.663 -176.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 133.4 -34.43 2.43 Favored Glycine 0 C--N 1.336 0.562 0 N-CA-C 110.132 -1.187 . . . . 0.0 110.132 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.458 ' HB2' HG23 ' B' ' 43' ' ' THR . 4.1 m -77.34 67.02 3.21 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 125.035 1.334 . . . . 0.0 108.001 175.048 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -34.97 -54.08 0.58 Allowed 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 126.922 2.089 . . . . 0.0 113.438 -171.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -58.35 -55.81 30.21 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 122.826 0.45 . . . . 0.0 110.015 -179.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -55.5 -46.1 76.98 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.515 0.726 . . . . 0.0 109.499 178.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -62.27 -45.19 94.39 Favored 'General case' 0 N--CA 1.455 -0.21 0 O-C-N 121.074 -1.016 . . . . 0.0 111.883 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.3 -44.16 68.11 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 174.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -59.54 -44.35 93.24 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 118.426 -0.797 . . . . 0.0 109.914 173.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 13.1 mm -62.18 -52.01 65.51 Favored 'Isoleucine or valine' 0 C--N 1.343 0.287 0 CA-C-N 120.072 1.305 . . . . 0.0 109.893 -176.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 11.5 p -63.84 -40.77 90.25 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.958 -178.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 66.1 tttp -58.02 -51.6 68.98 Favored 'General case' 0 N--CA 1.456 -0.165 0 O-C-N 121.955 -0.466 . . . . 0.0 110.232 176.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 7.3 mp -59.0 -50.29 74.67 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -47.11 -59.42 3.15 Favored 'General case' 0 C--O 1.225 -0.215 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 177.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -53.21 -54.8 30.77 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.838 0.455 . . . . 0.0 111.163 178.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -58.02 -40.11 80.01 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.991 0.916 . . . . 0.0 112.643 -173.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -80.23 -43.32 21.62 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.655 0.662 . . . . 0.0 110.501 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -54.6 -59.71 4.34 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 124.455 1.102 . . . . 0.0 111.508 -178.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 70.66 -59.53 0.53 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.447 1.499 . . . . 0.0 109.972 -168.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -168.89 -39.88 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.36 1.464 . . . . 0.0 111.054 179.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 7.6 pttm -56.96 -34.46 68.08 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -170.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 16.2 t70 60.34 -70.2 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 127.784 2.434 . . . . 0.0 113.283 177.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.5 23.29 0.12 Allowed 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -168.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -147.09 97.82 2.94 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 125.025 1.33 . . . . 0.0 107.986 171.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 90.1 t -115.57 117.03 54.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 N-CA-C 106.198 -1.778 . . . . 0.0 106.198 168.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -90.45 159.63 16.45 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 123.215 0.606 . . . . 0.0 109.914 -169.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -43.78 -48.41 8.13 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.183 0.593 . . . . 0.0 112.255 174.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -51.44 -47.91 62.89 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 121.852 -0.53 . . . . 0.0 110.578 174.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -66.29 -33.15 75.09 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 123.044 0.538 . . . . 0.0 110.538 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -58.82 -47.89 83.23 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 118.829 0.74 . . . . 0.0 110.156 172.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -62.4 -44.92 99.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 C-N-CA 119.677 -0.809 . . . . 0.0 109.679 177.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 22.6 m -56.23 -37.52 69.83 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.836 -0.54 . . . . 0.0 111.312 174.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -62.07 -50.04 73.55 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 124.236 1.015 . . . . 0.0 109.524 176.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 5.8 tt -52.2 -52.21 53.6 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.376 0.67 . . . . 0.0 109.279 174.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.88 -59.91 7.57 Favored Glycine 0 CA--C 1.524 0.642 0 C-N-CA 124.044 0.83 . . . . 0.0 111.504 176.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.82 -41.41 67.33 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 125.088 1.355 . . . . 0.0 111.255 -178.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 51.2 tp -63.57 -55.61 22.47 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.55 -41.51 75.82 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 113.383 0.882 . . . . 0.0 113.383 -174.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 3.7 ppp? -57.24 -19.91 24.19 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -168.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 10.6 pt -61.56 -35.81 69.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-N 118.638 0.654 . . . . 0.0 110.304 174.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 63.44 165.99 0.13 Allowed 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 126.077 1.751 . . . . 0.0 113.243 -177.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 48.8 t30 60.81 -76.65 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 125.296 1.438 . . . . 0.0 109.979 -168.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -68.62 166.43 17.21 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 168.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 69.23 -60.75 0.45 Allowed 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 125.812 1.645 . . . . 0.0 109.918 -169.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 9.7 mp -52.89 -50.36 64.03 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.99 0.916 . . . . 0.0 109.253 170.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -96.96 37.21 1.32 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.621 0.768 . . . . 0.0 110.722 169.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.13 0 CA-C-O 117.0 -2.0 . . . . 0.0 113.138 177.236 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 tmt? . . . . . 0 N--CA 1.476 0.841 0 CA-C-O 120.639 0.257 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.27 68.1 0.49 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.533 1.133 . . . . 0.0 112.893 -169.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.0 p -64.22 164.03 21.1 Favored Pre-proline 0 CA--C 1.538 0.492 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 169.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -49.6 -42.87 41.58 Favored 'Trans proline' 0 N--CA 1.457 -0.673 0 C-N-CA 122.432 2.088 . . . . 0.0 111.8 169.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.9 tt -60.94 -51.72 68.07 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 122.826 0.45 . . . . 0.0 110.162 176.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -58.53 -46.35 86.98 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 120.693 0.283 . . . . 0.0 111.088 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -52.73 -48.28 66.78 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 122.937 0.495 . . . . 0.0 110.002 172.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.03 -51.95 64.78 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 122.307 0.243 . . . . 0.0 110.807 -173.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.2 pt -61.66 -39.66 84.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.02 177.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.03 -54.93 23.68 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.46 -0.656 . . . . 0.0 111.46 174.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.5 mp -56.26 -51.52 67.85 Favored 'General case' 0 N--CA 1.454 -0.228 0 O-C-N 122.221 -0.576 . . . . 0.0 109.861 175.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 69.3 tp -52.61 -55.17 24.27 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 118.295 0.498 . . . . 0.0 112.112 -178.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.1 pt -60.34 -41.17 86.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-O 119.005 -0.522 . . . . 0.0 109.772 -178.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -52.95 -54.51 28.35 Favored Glycine 0 CA--C 1.533 1.163 0 N-CA-C 111.61 -0.596 . . . . 0.0 111.61 171.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.5 mp -53.25 -50.45 46.89 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 C-N-CA 124.194 0.997 . . . . 0.0 110.06 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -57.24 -50.47 72.79 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.437 0.637 . . . . 0.0 110.423 177.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -56.21 -31.42 63.47 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 123.999 0.92 . . . . 0.0 111.751 -177.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -48.93 -49.08 41.92 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 119.381 0.992 . . . . 0.0 110.379 173.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -76.75 -63.45 1.35 Allowed 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.517 -0.919 . . . . 0.0 108.517 -177.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.0 m -55.34 -39.38 69.94 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.45 0.7 . . . . 0.0 112.539 -172.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -47.75 -44.18 23.51 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 124.29 0.948 . . . . 0.0 112.031 177.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -62.93 -23.38 67.35 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 118.014 0.907 . . . . 0.0 112.431 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -103.41 7.39 38.04 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.072 0.949 . . . . 0.0 110.985 175.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.99 115.94 0.09 OUTLIER Glycine 0 CA--C 1.529 0.933 0 N-CA-C 107.76 -2.136 . . . . 0.0 107.76 -168.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -77.18 61.46 2.09 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 118.344 1.072 . . . . 0.0 112.589 -172.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.3 pttm -78.98 51.36 1.12 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.072 1.349 . . . . 0.0 108.875 169.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 46.08 46.92 12.98 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 126.281 1.832 . . . . 0.0 112.726 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.2 t -147.09 164.59 32.57 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 121.715 -0.616 . . . . 0.0 109.673 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.7 tt -142.46 118.75 10.82 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 104.46 -2.422 . . . . 0.0 104.46 172.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.8 t -116.86 168.97 9.75 Favored 'General case' 0 N--CA 1.462 0.126 0 C-N-CA 123.962 0.905 . . . . 0.0 111.43 -169.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.7 tttp -21.56 -60.96 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 129.465 3.106 . . . . 0.0 114.007 -175.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -52.55 -60.89 2.69 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.106 0.962 . . . . 0.0 110.316 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -67.0 -27.92 67.83 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 119.095 -0.478 . . . . 0.0 111.453 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.53 -53.75 53.71 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 174.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -55.34 -52.82 62.26 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 123.451 0.7 . . . . 0.0 110.139 177.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -53.82 -49.65 67.92 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 110.585 -0.154 . . . . 0.0 110.585 177.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.9 tp -53.95 -59.83 4.12 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 118.294 -0.86 . . . . 0.0 109.595 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 38.6 pt -58.04 -43.64 85.52 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 CA-C-N 119.387 0.994 . . . . 0.0 110.73 -176.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.2 tp60 -58.84 -48.86 79.86 Favored 'General case' 0 N--CA 1.453 -0.307 0 O-C-N 122.17 -0.331 . . . . 0.0 111.39 -178.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -76.26 -35.09 59.11 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.583 0.353 . . . . 0.0 110.905 -176.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -57.93 -31.65 67.02 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.535 1.134 . . . . 0.0 110.645 172.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 tt -69.2 61.74 0.13 Allowed 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.374 0.607 . . . . 0.0 110.683 170.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.2 t -77.33 156.72 31.11 Favored 'General case' 0 N--CA 1.452 -0.332 0 O-C-N 121.123 -0.986 . . . . 0.0 109.739 174.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.3 pt -66.04 -24.89 34.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.532 169.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -28.24 -57.54 0.13 Allowed Glycine 0 C--N 1.346 1.099 0 C-N-CA 126.683 2.087 . . . . 0.0 114.252 -172.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.9 p -137.06 58.84 1.7 Allowed 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.973 0.909 . . . . 0.0 108.555 171.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -4.52 -81.38 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 128.402 2.681 . . . . 0.0 114.729 -178.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.9 tp -59.77 -44.77 93.74 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.811 0.845 . . . . 0.0 111.466 -174.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.5 tp60 -63.85 -42.27 97.61 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -65.78 -43.23 89.39 Favored 'General case' 0 C--O 1.225 -0.2 0 C-N-CA 119.309 -0.957 . . . . 0.0 111.365 176.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.06 -42.06 65.43 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 174.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -62.84 -41.76 99.46 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 119.117 -0.468 . . . . 0.0 110.852 173.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.4 mp -62.51 -44.71 99.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-N 119.538 1.063 . . . . 0.0 109.703 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 42.2 t -58.49 -46.09 89.84 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 C-N-CA 123.712 0.805 . . . . 0.0 109.846 176.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -56.61 -45.48 81.46 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 122.118 -0.363 . . . . 0.0 110.488 175.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 31.0 tp -58.63 -50.62 73.16 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.247 0.476 . . . . 0.0 110.135 177.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.6 mmm -49.15 -56.42 9.26 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.282 0.633 . . . . 0.0 110.206 174.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -57.67 -43.49 85.06 Favored 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 123.418 0.687 . . . . 0.0 111.049 -178.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -60.96 -50.13 74.65 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.526 0.603 . . . . 0.0 111.102 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.98 -45.72 76.81 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.367 0.267 . . . . 0.0 111.071 -178.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -66.62 -56.89 8.61 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 123.563 0.745 . . . . 0.0 110.78 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . 0.324 24.0 ptt-85 54.23 -57.89 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 129.891 3.276 . . . . 0.0 115.858 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -61.16 -58.22 9.24 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 119.094 0.861 . . . . 0.0 110.343 177.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? 73.07 -44.81 0.6 Allowed 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 125.229 1.412 . . . . 0.0 113.639 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -68.13 74.8 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 124.35 1.06 . . . . 0.0 109.125 171.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -169.86 179.95 3.47 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 122.578 1.18 . . . . 0.0 111.269 -169.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -112.73 129.27 56.47 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 103.01 -2.959 . . . . 0.0 103.01 167.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 62.2 t -106.76 135.28 45.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 105.543 -2.021 . . . . 0.0 105.543 172.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -91.73 151.97 20.39 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 119.1 0.864 . . . . 0.0 109.166 -177.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -42.13 -44.05 3.52 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.919 1.288 . . . . 0.0 113.0 177.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -64.64 -32.82 74.66 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.576 1.08 . . . . 0.0 111.406 -179.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -69.09 -44.83 71.71 Favored 'General case' 0 C--N 1.339 0.118 0 O-C-N 120.862 -1.149 . . . . 0.0 110.004 173.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -50.72 -48.93 58.72 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 121.144 0.497 . . . . 0.0 110.037 174.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 12.0 mm -59.56 -53.8 43.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 124.341 1.056 . . . . 0.0 111.304 177.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 64.9 m -53.55 -44.7 69.46 Favored 'General case' 0 C--O 1.237 0.438 0 O-C-N 121.753 -0.592 . . . . 0.0 110.032 179.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -61.7 -43.45 98.83 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.813 1.245 . . . . 0.0 110.855 175.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.22 -46.16 68.98 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 174.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.71 -59.44 10.25 Favored Glycine 0 CA--C 1.529 0.918 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 174.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.17 -49.45 66.62 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 122.865 0.466 . . . . 0.0 111.648 -177.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 24.5 tp -52.72 -63.65 1.07 Allowed 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 125.774 1.63 . . . . 0.0 109.786 174.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.9 -32.7 67.98 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 123.539 0.735 . . . . 0.0 111.725 -174.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 12.0 tpt -59.05 -14.07 8.59 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.862 -0.524 . . . . 0.0 112.381 176.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 14.7 tt -49.48 -31.68 5.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-N 119.456 1.025 . . . . 0.0 111.306 169.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -75.41 57.19 0.9 Allowed 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.519 -0.738 . . . . 0.0 110.681 172.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.36 24.27 0.14 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.921 1.288 . . . . 0.0 113.407 -172.308 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.84 -39.73 1.94 Allowed 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 126.709 2.004 . . . . 0.0 109.289 177.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.03 -44.5 80.09 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 167.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.0 mp -101.71 79.25 1.91 Allowed 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 104.71 -2.33 . . . . 0.0 104.71 168.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -55.27 119.07 4.99 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 122.022 -0.424 . . . . 0.0 111.744 -168.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.245 0 CA-C-O 117.296 -1.835 . . . . 0.0 111.253 174.529 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.0 ptm . . . . . 0 N--CA 1.478 0.969 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.39 -36.38 66.02 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.329 0.652 . . . . 0.0 110.696 174.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -46.89 -49.78 47.47 Favored Pre-proline 0 CA--C 1.537 0.454 0 C-N-CA 124.859 1.263 . . . . 0.0 114.048 -169.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -57.94 -43.21 50.74 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 122.359 2.039 . . . . 0.0 111.951 176.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 10.0 tt -62.86 -50.06 72.4 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 178.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -55.71 -47.0 77.6 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 122.144 -0.347 . . . . 0.0 111.357 177.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.86 -40.52 76.28 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 122.947 0.499 . . . . 0.0 110.192 175.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.17 -48.71 77.24 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 119.254 -0.403 . . . . 0.0 110.066 178.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 50.3 mm -51.83 -55.83 8.01 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 174.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.73 -51.93 26.85 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 124.101 0.857 . . . . 0.0 111.487 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 53.9 tp -60.47 -49.37 77.84 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 122.323 -0.516 . . . . 0.0 110.426 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 30.9 mt -58.07 -52.02 67.27 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 123.096 0.558 . . . . 0.0 111.406 -178.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 27.1 pt -59.67 -40.85 83.38 Favored 'Isoleucine or valine' 0 C--N 1.34 0.18 0 C-N-CA 119.885 -0.726 . . . . 0.0 109.576 176.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -48.5 -56.9 8.86 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 123.618 0.628 . . . . 0.0 111.746 172.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.6 mp -56.38 -54.62 25.94 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 C-N-CA 123.655 0.782 . . . . 0.0 109.568 178.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.462 ' CE1' HD13 ' B' ' 29' ' ' LEU . 58.2 t80 -54.5 -41.85 70.08 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.015 0.436 . . . . 0.0 110.657 -177.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -69.81 -14.5 62.79 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.091 1.356 . . . . 0.0 112.744 -177.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -61.18 -59.77 4.81 Favored 'General case' 0 C--N 1.342 0.279 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 169.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -65.79 -63.48 1.08 Allowed 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.7 m -75.48 65.63 1.76 Allowed 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 123.32 0.648 . . . . 0.0 109.938 176.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 158.4 -65.75 0.29 Allowed Glycine 0 C--N 1.333 0.414 0 CA-C-N 118.275 0.489 . . . . 0.0 113.768 169.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm -71.42 -38.67 71.37 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 117.57 0.685 . . . . 0.0 110.545 -174.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -97.17 -49.26 5.04 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.367 1.067 . . . . 0.0 110.202 -175.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -129.2 -171.72 13.02 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -62.97 139.63 58.78 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.154 0.982 . . . . 0.0 111.092 -169.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 44.8 pttt -77.99 59.35 2.14 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 -173.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -131.29 -79.8 0.52 Allowed 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.404 1.081 . . . . 0.0 110.726 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 17.8 p -144.99 169.89 17.22 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 124.598 1.159 . . . . 0.0 108.873 -167.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.462 HD13 ' CE1' ' B' ' 16' ' ' PHE . 4.2 mp -88.34 73.87 8.75 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 105.168 -2.16 . . . . 0.0 105.168 -176.178 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.73 171.34 8.94 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 126.75 2.02 . . . . 0.0 107.763 -175.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 57.2 mttm -33.26 -55.68 0.41 Allowed 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 -170.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -56.32 -54.77 41.51 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.29 0.567 . . . . 0.0 111.157 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 23.0 mp0 -62.19 -42.31 99.17 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.826 0.85 . . . . 0.0 109.516 -177.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.11 -51.17 68.99 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 123.291 0.636 . . . . 0.0 109.949 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -57.59 -45.86 84.75 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 121.844 -0.535 . . . . 0.0 110.399 177.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -53.37 -53.8 45.84 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 120.609 0.243 . . . . 0.0 110.348 173.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.5 tt -54.23 -50.96 65.96 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.423 0.689 . . . . 0.0 110.613 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 85.3 mt -52.66 -51.55 34.31 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.13 0 C-N-CA 123.455 0.702 . . . . 0.0 109.574 176.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -58.63 -49.43 77.52 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.286 0.494 . . . . 0.0 111.025 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -60.35 -43.53 96.41 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.397 0.544 . . . . 0.0 111.37 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -59.85 -39.84 86.55 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.37 0.668 . . . . 0.0 110.418 174.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 2.7 tt -76.24 66.2 2.31 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.024 0.929 . . . . 0.0 108.833 175.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 13.7 t -84.21 -155.8 0.2 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.655 1.182 . . . . 0.0 109.912 177.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.419 HD12 ' H ' ' B' ' 44' ' ' ILE . 3.3 mp -66.45 89.01 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 176.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -56.81 74.68 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 C-N-CA 126.927 2.203 . . . . 0.0 113.444 -177.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 15.2 m -84.86 1.79 45.43 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.402 1.481 . . . . 0.0 112.223 -179.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 46.8 tptt 68.63 -57.85 0.49 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 127.146 2.178 . . . . 0.0 111.743 -176.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 58.1 tp -53.24 119.88 5.3 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.805 0.842 . . . . 0.0 108.734 169.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 74.83 -52.55 0.68 Allowed 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 126.001 1.721 . . . . 0.0 110.391 -170.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -55.75 -31.59 62.69 Favored 'General case' 0 C--O 1.222 -0.359 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -173.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.57 -47.71 66.65 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.285 0.948 . . . . 0.0 110.474 170.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -67.52 -37.18 82.39 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 118.712 -0.661 . . . . 0.0 110.801 175.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 46.9 mm -62.19 -48.21 89.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 CA-C-N 119.412 1.006 . . . . 0.0 109.997 178.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 56.0 t -54.66 -51.54 50.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 124.449 1.1 . . . . 0.0 109.404 173.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -51.81 -47.44 64.3 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 117.752 0.251 . . . . 0.0 110.665 176.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 7.8 tt -56.47 -60.24 3.81 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 124.187 0.995 . . . . 0.0 109.841 -179.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -62.48 -36.85 83.79 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -177.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -67.76 -48.09 67.37 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 118.082 0.401 . . . . 0.0 110.265 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -56.22 -37.35 69.57 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.728 0.811 . . . . 0.0 110.738 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 23.0 tp -68.71 -70.45 0.27 Allowed 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 121.308 0.575 . . . . 0.0 109.743 169.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -84.11 62.98 7.41 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.246 0.619 . . . . 0.0 110.29 -170.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 37.9 mtp85 -54.63 -40.02 68.52 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.532 0.733 . . . . 0.0 111.137 -174.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -79.64 -4.63 52.54 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.714 0.806 . . . . 0.0 112.673 -177.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt 69.96 3.89 4.54 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.519 1.528 . . . . 0.0 113.687 -177.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -165.52 137.59 4.12 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 104.981 -2.229 . . . . 0.0 104.981 168.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -162.59 165.5 25.83 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 119.04 0.836 . . . . 0.0 108.788 -170.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -119.08 95.24 4.73 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 106.283 -1.747 . . . . 0.0 106.283 168.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 94.3 t -92.79 114.73 30.15 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 -169.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -89.97 158.79 17.22 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 173.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -50.1 -41.42 48.34 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.308 1.043 . . . . 0.0 112.45 -170.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -64.11 -36.52 84.31 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.603 -0.685 . . . . 0.0 111.939 176.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -67.51 -45.99 74.2 Favored 'General case' 0 C--N 1.339 0.128 0 CA-C-N 119.857 1.208 . . . . 0.0 109.641 175.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -50.2 -49.91 51.09 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 120.908 0.385 . . . . 0.0 110.185 174.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.37 -46.78 89.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 O-C-N 121.94 -0.475 . . . . 0.0 110.617 -178.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 72.2 m -56.19 -43.89 78.9 Favored 'General case' 0 C--O 1.236 0.359 0 O-C-N 121.216 -0.927 . . . . 0.0 109.889 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -56.47 -44.44 80.57 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.412 1.085 . . . . 0.0 110.938 170.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.61 -48.45 69.27 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 175.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.24 -54.85 27.31 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.659 -0.576 . . . . 0.0 111.659 175.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.84 -52.26 63.32 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 117.547 0.674 . . . . 0.0 111.177 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 38.8 tp -53.86 -55.21 28.8 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.752 1.621 . . . . 0.0 110.326 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.43 -42.44 87.32 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.636 178.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 48.1 ttm -62.9 -46.2 88.94 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.927 -0.483 . . . . 0.0 111.419 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 20.9 tt -65.36 -34.67 72.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 118.667 0.667 . . . . 0.0 110.551 175.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 19.7 m-30 -74.65 59.58 0.86 Allowed 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 122.557 1.17 . . . . 0.0 109.357 168.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -65.21 -47.58 76.38 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.362 -169.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 45.6 mp0 -76.22 53.9 0.85 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.576 1.55 . . . . 0.0 110.034 176.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -170.28 -49.53 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 127.301 2.24 . . . . 0.0 106.51 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 31.7 tp -56.58 -48.34 77.58 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 168.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -74.52 62.67 1.03 Allowed 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 167.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.184 0 CA-C-O 117.022 -1.988 . . . . 0.0 109.95 -176.657 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.1 mtt . . . . . 0 N--CA 1.475 0.79 0 CA-C-O 120.856 0.36 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.46 -27.12 68.28 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 122.725 0.41 . . . . 0.0 111.278 171.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -32.85 -65.13 0.23 Allowed Pre-proline 0 CA--C 1.537 0.468 0 C-N-CA 126.352 1.861 . . . . 0.0 114.164 -174.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -55.22 -41.16 81.18 Favored 'Trans proline' 0 CA--C 1.537 0.654 0 C-N-CA 121.834 1.689 . . . . 0.0 113.517 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.79 -53.32 48.86 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -64.44 -32.26 73.81 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 120.514 -0.474 . . . . 0.0 111.751 -178.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -63.63 -42.72 98.14 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.224 0.61 . . . . 0.0 110.317 171.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.9 -47.47 83.14 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 118.685 0.675 . . . . 0.0 110.504 178.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 93.5 mt -55.38 -47.36 78.21 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 172.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.66 -49.43 16.34 Favored Glycine 0 CA--C 1.528 0.869 0 C-N-CA 125.516 1.531 . . . . 0.0 111.563 172.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.3 tp -63.34 -46.45 86.52 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 121.961 -0.729 . . . . 0.0 110.375 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 70.2 mt -56.23 -56.09 25.24 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 118.128 0.422 . . . . 0.0 111.275 175.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.3 pp -64.11 -30.94 51.41 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.261 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.339 -178.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.13 -56.13 22.28 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 124.416 1.007 . . . . 0.0 111.62 176.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -60.7 -42.45 92.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-N 117.978 0.889 . . . . 0.0 108.839 179.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -54.57 -45.81 73.59 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.619 -0.676 . . . . 0.0 110.128 172.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -53.46 -36.78 61.99 Favored 'General case' 0 N--CA 1.456 -0.145 0 O-C-N 121.179 -0.95 . . . . 0.0 112.105 -175.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -52.54 -41.25 63.34 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 122.448 0.299 . . . . 0.0 110.606 178.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -79.05 -51.44 9.57 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 176.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -48.29 -38.77 19.68 Favored 'General case' 0 C--O 1.226 -0.175 0 C-N-CA 124.32 1.048 . . . . 0.0 112.601 -175.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -45.44 -37.55 6.49 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.605 1.098 . . . . 0.0 112.886 177.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -60.6 -20.92 61.94 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 118.205 1.003 . . . . 0.0 112.279 179.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -128.24 37.75 4.1 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.483 1.913 . . . . 0.0 109.393 170.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 49.64 -105.81 0.18 Allowed Glycine 0 CA--C 1.53 0.999 0 C-N-CA 125.378 1.466 . . . . 0.0 113.123 178.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -90.17 -9.23 48.95 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.371 0.668 . . . . 0.0 112.075 -174.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.4 mtmt -73.66 81.84 1.54 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 119.14 0.882 . . . . 0.0 109.374 177.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.4 m80 -73.59 72.48 1.43 Allowed 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 169.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.9 p -125.3 160.54 29.04 Favored 'General case' 0 N--CA 1.437 -1.08 0 C-N-CA 127.247 2.219 . . . . 0.0 105.584 175.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.4 mp -93.83 80.36 4.19 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 105.717 -1.956 . . . . 0.0 105.717 171.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.0 m -91.39 162.0 14.77 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 175.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -46.57 -42.49 16.04 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.883 0.873 . . . . 0.0 112.623 -169.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -57.3 -45.62 84.0 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.897 0.879 . . . . 0.0 111.607 175.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -68.6 -41.16 79.99 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 118.609 -0.71 . . . . 0.0 110.495 177.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.2 mp -53.35 -55.44 24.87 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 118.983 0.81 . . . . 0.0 109.245 173.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.7 tmmm? -51.17 -54.82 21.79 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.611 0.764 . . . . 0.0 109.565 179.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -61.93 -42.36 99.01 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 122.314 -0.241 . . . . 0.0 111.603 -176.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.3 tp -59.62 -54.1 50.4 Favored 'General case' 0 N--CA 1.456 -0.154 0 O-C-N 121.789 -0.569 . . . . 0.0 109.838 177.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 81.8 mt -56.0 -50.04 71.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -52.62 -54.05 38.56 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.376 1.07 . . . . 0.0 111.067 177.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -69.45 -44.77 70.59 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 122.839 0.456 . . . . 0.0 111.425 -173.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -60.54 -38.29 84.01 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 121.024 0.44 . . . . 0.0 109.85 174.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.8 tp 64.64 -79.02 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 126.623 1.969 . . . . 0.0 111.72 175.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.2 t 178.96 176.91 0.52 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.933 1.693 . . . . 0.0 107.997 -176.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 19.6 mm -140.68 -58.29 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 C-N-CA 125.939 1.696 . . . . 0.0 106.562 168.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.34 166.45 31.65 Favored Glycine 0 C--N 1.335 0.5 0 N-CA-C 107.787 -2.125 . . . . 0.0 107.787 169.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.3 p -78.83 49.91 0.95 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.571 1.186 . . . . 0.0 110.893 -176.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.4 tptt 179.25 -69.53 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 127.751 2.421 . . . . 0.0 105.879 -179.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.6 tp -58.1 118.96 6.0 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.813 0.845 . . . . 0.0 109.568 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 68.34 -50.87 0.55 Allowed 'General case' 0 C--O 1.226 -0.161 0 C-N-CA 126.135 1.774 . . . . 0.0 112.152 -172.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -59.76 -31.29 69.51 Favored 'General case' 0 N--CA 1.453 -0.319 0 O-C-N 121.037 -1.04 . . . . 0.0 112.351 -174.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.89 -43.1 72.92 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 119.235 0.925 . . . . 0.0 110.617 170.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -67.42 -38.16 84.16 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 118.717 -0.659 . . . . 0.0 110.15 175.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 69.5 mt -60.61 -47.83 91.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-N 119.263 0.938 . . . . 0.0 109.597 176.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.8 t -57.05 -51.77 64.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 123.649 0.78 . . . . 0.0 109.675 176.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -55.6 -46.5 77.3 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.113 0.415 . . . . 0.0 110.954 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 56.8 tp -56.72 -56.86 16.12 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 123.956 0.903 . . . . 0.0 109.749 177.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 16.1 tpt -54.53 -50.36 68.07 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 122.305 0.242 . . . . 0.0 110.384 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -52.89 -54.89 28.08 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.722 0.809 . . . . 0.0 110.047 178.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -53.5 -61.31 2.38 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.345 0.658 . . . . 0.0 110.474 178.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 85.1 mt -49.65 -46.22 49.39 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.166 0.586 . . . . 0.0 110.499 -178.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -56.39 -23.39 37.62 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 -175.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -58.77 -29.09 66.52 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 120.197 1.362 . . . . 0.0 111.536 175.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -66.0 -29.3 69.66 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.027 0.531 . . . . 0.0 111.89 173.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.9 ttpp 94.29 118.37 0.02 OUTLIER 'General case' 0 C--O 1.234 0.286 0 C-N-CA 129.197 2.999 . . . . 0.0 104.741 -166.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -76.2 55.9 0.99 Allowed 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.819 1.248 . . . . 0.0 112.807 -169.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -111.66 -76.13 0.6 Allowed 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.472 1.109 . . . . 0.0 108.545 172.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -115.89 94.2 4.57 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 125.803 1.641 . . . . 0.0 107.755 175.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.9 t -94.41 138.72 19.98 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.107 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 177.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -91.57 155.43 18.38 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.643 -0.661 . . . . 0.0 111.458 -168.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -42.04 -45.81 4.01 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 126.006 1.722 . . . . 0.0 111.061 173.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -52.25 -38.79 59.14 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 119.331 -0.366 . . . . 0.0 110.903 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -68.25 -43.94 76.76 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 119.181 0.901 . . . . 0.0 110.301 -178.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -51.99 -55.93 17.41 Favored 'General case' 0 C--O 1.232 0.174 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 173.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.1 tp -70.16 -36.21 66.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 119.818 -0.753 . . . . 0.0 111.493 -174.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 86.6 m -62.31 -39.46 93.1 Favored 'General case' 0 C--O 1.226 -0.169 0 O-C-N 121.128 -0.983 . . . . 0.0 109.001 176.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -61.51 -39.67 91.85 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 118.16 0.436 . . . . 0.0 110.598 171.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 tt -55.33 -49.84 71.17 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 174.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -49.74 -55.62 13.76 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 123.989 0.804 . . . . 0.0 112.132 172.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.81 -42.23 83.81 Favored 'General case' 0 N--CA 1.457 -0.1 0 C-N-CA 124.546 1.138 . . . . 0.0 111.68 -177.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 53.4 tp -67.87 -53.41 26.94 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 177.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.17 -47.75 71.67 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.233 1.013 . . . . 0.0 112.028 -177.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -8.61 4.39 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 -169.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.2 pp -57.81 -38.73 67.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-N 119.154 0.888 . . . . 0.0 109.672 168.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 61.19 -58.52 0.1 Allowed 'General case' 0 C--N 1.343 0.312 0 C-N-CA 127.956 2.502 . . . . 0.0 115.65 174.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -9.97 103.39 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 128.779 2.831 . . . . 0.0 113.781 178.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 72.41 -43.24 0.56 Allowed 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 126.002 1.721 . . . . 0.0 113.297 173.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.77 -52.71 59.36 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.998 0.817 . . . . 0.0 109.549 173.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.5 tp -78.45 48.76 0.8 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.835 0.854 . . . . 0.0 110.34 173.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -155.35 -49.89 0.08 Allowed 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.752 1.221 . . . . 0.0 108.698 175.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.087 0 CA-C-O 117.281 -1.844 . . . . 0.0 109.758 174.957 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.0 mmt . . . . . 0 N--CA 1.473 0.706 0 N-CA-C 110.48 -0.193 . . . . 0.0 110.48 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.46 67.55 1.06 Allowed 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 123.266 0.626 . . . . 0.0 109.614 175.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 30.7 t -69.77 139.32 88.44 Favored Pre-proline 0 N--CA 1.449 -0.519 0 C-N-CA 123.243 0.617 . . . . 0.0 110.411 -177.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -50.18 -27.39 17.27 Favored 'Trans proline' 0 N--CA 1.451 -1.023 0 C-N-CA 122.471 2.114 . . . . 0.0 111.57 167.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 39.6 tp -59.2 -54.37 47.67 Favored 'General case' 0 C--N 1.342 0.258 0 CA-C-N 118.536 0.607 . . . . 0.0 110.428 173.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -67.02 -35.78 80.67 Favored 'General case' 0 C--O 1.23 0.074 0 O-C-N 121.569 -0.707 . . . . 0.0 110.689 -178.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -55.54 -48.05 75.35 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 171.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.93 -47.48 86.24 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.343 0.657 . . . . 0.0 110.244 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 96.4 mt -56.83 -49.31 79.15 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.78 -53.43 36.34 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 176.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 57.4 tp -52.52 -52.33 55.16 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.335 0.654 . . . . 0.0 110.22 177.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 35.3 mt -58.01 -49.27 77.42 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 124.008 0.923 . . . . 0.0 111.077 -178.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 10.7 mm -52.16 -57.2 4.15 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 175.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.88 -59.48 10.52 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.671 -0.571 . . . . 0.0 111.671 -177.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 14.6 tt -64.23 -35.55 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 O-C-N 121.758 -0.848 . . . . 0.0 110.817 -175.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -64.62 -45.97 84.58 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 118.955 0.798 . . . . 0.0 110.169 177.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -54.8 -46.82 74.53 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 118.429 0.559 . . . . 0.0 110.17 173.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -63.41 -50.87 68.13 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 121.466 0.65 . . . . 0.0 109.801 -174.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -54.36 -48.34 71.58 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 125.821 1.648 . . . . 0.0 109.77 176.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 10.9 m -73.14 8.94 1.38 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.056 0.943 . . . . 0.0 113.462 174.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.22 -33.54 52.31 Favored Glycine 0 CA--C 1.529 0.947 0 CA-C-N 120.105 1.32 . . . . 0.0 113.036 -173.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -37.42 63.64 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.997 0.919 . . . . 0.0 110.896 173.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -101.79 25.58 8.43 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.527 1.531 . . . . 0.0 110.51 174.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 55.09 -111.59 2.35 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 124.333 0.968 . . . . 0.0 111.709 -175.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -114.13 14.71 18.3 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.009 1.323 . . . . 0.0 110.937 177.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -66.14 125.59 26.01 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 173.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -76.33 53.31 0.82 Allowed 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.937 0.718 . . . . 0.0 112.937 -169.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 9.8 t -146.51 142.76 28.39 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 123.877 0.871 . . . . 0.0 109.021 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 44.0 mt -94.92 128.41 41.68 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 171.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 23.2 t -91.57 170.25 10.09 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 178.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -50.12 -41.44 48.65 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.229 0.611 . . . . 0.0 109.371 174.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -44.08 -51.69 7.74 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.727 1.611 . . . . 0.0 111.163 172.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -65.1 -49.16 71.08 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.232 0.613 . . . . 0.0 109.512 -175.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.88 -49.74 76.65 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 117.929 0.332 . . . . 0.0 110.11 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -54.76 -51.39 65.84 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.218 0.207 . . . . 0.0 110.571 176.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -57.08 -45.1 83.58 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 122.233 -0.292 . . . . 0.0 111.631 177.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 44.8 tp -58.92 -50.42 74.09 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 118.766 0.712 . . . . 0.0 109.82 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 81.0 mt -57.06 -48.41 81.94 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 178.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -55.02 -54.43 43.12 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.904 0.881 . . . . 0.0 110.956 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -62.45 -46.41 88.63 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.348 0.659 . . . . 0.0 110.814 -178.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -53.96 -39.96 66.41 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.618 0.767 . . . . 0.0 110.201 174.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 17.6 tp 56.54 49.4 14.82 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.728 1.211 . . . . 0.0 109.179 178.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 8.9 t -59.62 131.5 51.12 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.605 -172.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.3 pp -74.12 67.59 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 123.572 0.749 . . . . 0.0 109.098 170.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.4 68.12 0.16 Allowed Glycine 0 CA--C 1.531 1.032 0 C-N-CA 126.012 1.768 . . . . 0.0 112.56 -175.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.1 p -82.31 58.23 3.98 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 127.434 2.294 . . . . 0.0 109.462 -173.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm 66.3 -70.83 0.1 Allowed 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 126.68 1.992 . . . . 0.0 111.646 172.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 81.2 mt -61.17 -50.7 72.08 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 175.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -58.79 -36.12 73.92 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.959 177.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -72.83 -35.9 67.37 Favored 'General case' 0 C--O 1.224 -0.268 0 O-C-N 121.126 -0.984 . . . . 0.0 112.332 177.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.16 -46.46 68.88 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 169.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -59.23 -43.05 92.34 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 118.203 -0.904 . . . . 0.0 111.477 171.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 13.0 mm -61.67 -52.17 64.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 120.333 1.424 . . . . 0.0 110.867 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 21.7 m -63.55 -36.47 76.47 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 CA-C-N 118.539 0.609 . . . . 0.0 110.733 -178.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 40.7 ttpt -59.56 -50.97 71.82 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.554 0.615 . . . . 0.0 110.351 173.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 23.4 tp -58.7 -48.96 79.35 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -53.28 -53.92 43.83 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.913 0.885 . . . . 0.0 109.734 175.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -53.87 -50.86 65.35 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.368 0.667 . . . . 0.0 110.974 178.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -57.09 -41.44 78.86 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.255 0.622 . . . . 0.0 111.531 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 tt -66.99 -63.71 1.0 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 121.401 0.62 . . . . 0.0 109.761 176.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -74.36 67.18 1.4 Allowed 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 125.823 1.649 . . . . 0.0 110.459 -178.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.07 -50.0 70.26 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 173.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -74.87 61.92 1.06 Allowed 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.621 -0.674 . . . . 0.0 110.663 169.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 39.9 pttt -72.45 68.84 0.81 Allowed 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.152 0.981 . . . . 0.0 109.505 174.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -148.35 -56.05 0.21 Allowed 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.967 1.307 . . . . 0.0 109.352 -176.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -123.34 -91.32 0.55 Allowed 'General case' 0 N--CA 1.457 -0.098 0 C-N-CA 123.573 0.749 . . . . 0.0 110.558 -178.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -132.9 145.08 50.61 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 126.392 1.877 . . . . 0.0 106.158 -175.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 8.2 p -95.51 135.01 30.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 -177.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -92.2 152.16 20.0 Favored 'General case' 0 C--N 1.333 -0.119 0 O-C-N 121.795 -0.565 . . . . 0.0 110.191 -170.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -47.42 -42.77 22.88 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.319 0.648 . . . . 0.0 111.899 174.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 16.7 tp60 -59.05 -37.76 77.77 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.18 -0.95 . . . . 0.0 110.996 177.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -68.04 -40.53 82.84 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 118.86 -0.59 . . . . 0.0 109.688 174.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -56.71 -48.41 77.76 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.691 0.678 . . . . 0.0 109.858 176.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 22.0 mm -56.19 -53.46 39.12 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 123.112 0.565 . . . . 0.0 110.49 175.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 23.8 m -56.36 -46.89 79.81 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.999 -0.438 . . . . 0.0 110.564 -178.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -53.14 -48.99 67.47 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.563 1.145 . . . . 0.0 110.517 173.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 3.1 tt -57.42 -47.7 81.05 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 -178.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -51.02 -60.86 6.66 Favored Glycine 0 C--O 1.223 -0.558 0 CA-C-O 119.328 -0.706 . . . . 0.0 111.983 173.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.21 -51.75 66.94 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.119 0.96 . . . . 0.0 111.425 -177.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -52.52 -50.93 61.85 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 125.256 1.422 . . . . 0.0 109.77 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.08 -49.68 66.75 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 121.952 -0.468 . . . . 0.0 111.612 178.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 28.0 ttt -49.22 -39.13 28.77 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.991 1.717 . . . . 0.0 113.678 -172.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 17.9 pt -63.82 -18.73 22.96 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 119.06 0.845 . . . . 0.0 112.61 178.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 58.02 -137.29 0.91 Allowed 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 125.646 1.578 . . . . 0.0 110.655 178.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . 0.276 4.5 p30 41.25 -124.62 0.53 Allowed 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.898 1.279 . . . . 0.0 111.469 -177.008 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -48.83 -34.33 12.27 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 119.676 1.126 . . . . 0.0 113.044 -178.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.36 -32.63 68.74 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 118.49 0.586 . . . . 0.0 111.55 -175.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 25.8 mt -82.7 -12.48 57.56 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 119.618 -0.229 . . . . 0.0 111.609 -179.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -94.37 -44.17 8.05 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.928 0.891 . . . . 0.0 109.514 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.279 0 CA-C-O 117.353 -1.804 . . . . 0.0 111.175 -177.336 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.474 0.759 0 CA-C-O 120.65 0.262 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -160.79 178.49 9.39 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 125.075 1.35 . . . . 0.0 107.683 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.47 124.49 11.79 Favored Pre-proline 0 CA--C 1.536 0.415 0 C-N-CA 125.024 1.33 . . . . 0.0 109.187 173.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -33.39 -62.56 0.17 Allowed 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 124.883 3.722 . . . . 0.0 116.498 -169.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -57.84 -40.74 80.79 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.389 -0.819 . . . . 0.0 112.436 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -68.04 -42.9 79.84 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 121.93 -0.481 . . . . 0.0 109.928 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -56.85 -43.44 81.13 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 122.824 0.449 . . . . 0.0 109.964 173.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.31 -52.58 64.11 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 122.761 0.425 . . . . 0.0 110.224 -178.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.7 mt -50.03 -55.18 5.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 N-CA-C 108.706 -0.849 . . . . 0.0 108.706 172.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.97 -51.97 10.39 Favored Glycine 0 CA--C 1.524 0.639 0 C-N-CA 125.921 1.724 . . . . 0.0 112.212 178.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 30.3 mt -63.9 -49.59 72.08 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 117.838 0.819 . . . . 0.0 110.338 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mp -55.5 -52.98 61.86 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 119.449 -0.31 . . . . 0.0 111.336 -178.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.8 pt -67.32 -40.3 84.54 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 177.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -43.18 -56.89 4.45 Favored Glycine 0 C--N 1.335 0.502 0 C-N-CA 125.733 1.635 . . . . 0.0 110.884 176.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.1 tt -74.85 -53.17 17.16 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 117.921 0.86 . . . . 0.0 111.52 175.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -54.51 -45.48 73.33 Favored 'General case' 0 C--N 1.34 0.176 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -168.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -61.77 -31.86 72.09 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -173.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -57.25 -41.98 80.63 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-O 121.547 0.689 . . . . 0.0 109.457 -178.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -81.13 -65.6 0.99 Allowed 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.222 175.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 84.1 p -63.33 -23.11 67.27 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 -168.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -51.7 -32.33 32.31 Favored Glycine 0 CA--C 1.529 0.924 0 C-N-CA 123.879 0.752 . . . . 0.0 111.767 173.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -54.37 -30.9 53.41 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 117.513 0.656 . . . . 0.0 111.322 174.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -123.57 48.32 1.88 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.539 1.536 . . . . 0.0 108.515 170.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.81 66.38 0.83 Allowed Glycine 0 CA--C 1.527 0.831 0 C-N-CA 126.164 1.84 . . . . 0.0 111.807 -175.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -167.7 -59.62 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 127.908 2.483 . . . . 0.0 105.298 -177.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -63.62 -40.62 97.34 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.791 169.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 77.7 m80 58.94 61.43 2.15 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 122.372 1.082 . . . . 0.0 109.962 -177.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.6 p -131.03 170.25 14.75 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 106.123 -1.806 . . . . 0.0 106.123 176.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.5 tt -125.64 116.48 21.77 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.4 m -97.49 164.95 12.23 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.148 0.979 . . . . 0.0 112.285 -169.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -44.97 -47.77 11.42 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 125.34 1.456 . . . . 0.0 113.319 -170.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -55.3 -59.73 4.39 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.114 0.566 . . . . 0.0 109.831 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -50.46 -47.48 56.95 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.039 0.535 . . . . 0.0 110.321 176.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 48.8 tp -57.68 -55.67 31.88 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 119.319 -0.372 . . . . 0.0 110.875 -178.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.26 -40.38 90.16 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 119.123 0.874 . . . . 0.0 111.034 -178.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.6 -51.25 70.26 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.595 -0.691 . . . . 0.0 110.434 175.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 61.6 tp -54.28 -54.86 34.42 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.143 0.577 . . . . 0.0 110.138 176.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 59.6 mt -51.32 -53.07 16.87 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 C-N-CA 123.51 0.724 . . . . 0.0 109.997 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -52.74 -55.02 25.76 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 119.444 -0.312 . . . . 0.0 110.752 178.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -30.2 67.56 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -175.287 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -62.52 -46.96 86.01 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 119.027 0.831 . . . . 0.0 110.566 169.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 60.2 tp -71.05 -45.97 62.86 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 122.863 0.465 . . . . 0.0 111.006 -172.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 32.0 p 53.87 -109.57 0.49 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.439 1.496 . . . . 0.0 108.965 -168.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.5 pt -135.47 28.45 0.84 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 C-N-CA 125.171 1.388 . . . . 0.0 109.005 169.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.02 133.98 11.52 Favored Glycine 0 C--N 1.337 0.613 0 N-CA-C 110.299 -1.12 . . . . 0.0 110.299 -173.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.5 m -76.15 49.62 0.57 Allowed 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.197 1.399 . . . . 0.0 110.816 177.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -72.59 73.02 1.04 Allowed 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.769 1.227 . . . . 0.0 109.945 -175.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.8 tp -37.78 -54.14 1.25 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.097 1.359 . . . . 0.0 113.217 -175.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -53.28 -51.82 61.05 Favored 'General case' 0 CA--C 1.527 0.087 0 O-C-N 121.676 -0.64 . . . . 0.0 110.862 177.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -66.85 -31.16 71.59 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 118.504 -0.76 . . . . 0.0 111.398 179.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.81 -46.81 74.57 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 119.289 0.95 . . . . 0.0 108.823 171.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -60.18 -44.8 94.78 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 118.827 -0.606 . . . . 0.0 110.988 172.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 78.3 mt -56.31 -55.44 18.88 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 119.283 0.947 . . . . 0.0 110.536 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.2 m -63.78 -38.77 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-O 118.977 -0.535 . . . . 0.0 110.934 -177.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -56.49 -48.49 77.05 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 118.774 0.716 . . . . 0.0 109.87 173.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.4 tt -58.21 -54.25 49.1 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 67.2 mtm -56.24 -47.03 79.29 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 122.08 -0.387 . . . . 0.0 111.25 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -56.37 -53.15 60.71 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.505 0.722 . . . . 0.0 110.415 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -56.53 -50.18 72.61 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 121.047 0.451 . . . . 0.0 110.752 177.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 45.3 tp -55.93 -42.09 75.61 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.001 0.921 . . . . 0.0 110.731 -178.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -65.72 -55.51 16.97 Favored 'General case' 0 N--CA 1.456 -0.168 0 O-C-N 122.114 -0.366 . . . . 0.0 110.039 173.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.4 -38.15 18.81 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 125.096 1.359 . . . . 0.0 111.405 -177.291 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -47.76 -37.72 13.98 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.517 0.727 . . . . 0.0 111.812 176.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.34 44.28 2.98 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.236 1.414 . . . . 0.0 109.112 173.083 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -23.44 82.35 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 128.222 2.609 . . . . 0.0 115.592 -168.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.0 -60.14 0.01 OUTLIER 'General case' 0 C--N 1.339 0.11 0 C-N-CA 123.443 0.697 . . . . 0.0 111.123 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -145.93 170.23 17.02 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.922 1.289 . . . . 0.0 110.094 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 30.5 m -119.93 139.89 45.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 106.442 -1.688 . . . . 0.0 106.442 165.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -92.48 151.06 20.4 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -177.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -46.6 -44.13 17.89 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 177.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -59.12 -38.78 80.41 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 120.856 -1.153 . . . . 0.0 110.614 177.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -64.5 -47.47 78.79 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 176.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -49.7 -49.94 45.73 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.709 0.804 . . . . 0.0 110.349 173.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 16.4 mm -57.01 -53.82 38.07 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 O-C-N 121.589 -0.694 . . . . 0.0 111.146 176.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.1 p -63.29 -25.36 68.28 Favored 'General case' 0 C--O 1.223 -0.31 0 O-C-N 120.894 -1.129 . . . . 0.0 111.782 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.54 -45.61 82.72 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.116 0.966 . . . . 0.0 109.856 172.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.4 tp -54.09 -48.51 70.6 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 170.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -46.31 -60.0 4.9 Favored Glycine 0 CA--C 1.532 1.106 0 N-CA-C 111.757 -0.537 . . . . 0.0 111.757 172.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.08 -45.31 79.39 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 125.122 1.369 . . . . 0.0 111.418 -175.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 96.3 mt -58.6 -53.24 60.58 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 174.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.52 -38.79 72.3 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -178.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 22.8 mmt -54.41 -18.04 3.74 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.063 0.945 . . . . 0.0 113.209 177.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 96.2 mt -55.85 -33.92 35.9 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-N 119.432 1.015 . . . . 0.0 110.316 171.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 48.56 77.53 0.1 Allowed 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 125.185 1.394 . . . . 0.0 113.319 171.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -33.17 107.61 0.05 OUTLIER 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 126.101 1.76 . . . . 0.0 112.219 169.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 56.07 43.23 27.34 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.599 0.76 . . . . 0.0 112.392 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 55.42 41.68 30.76 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.538 0.735 . . . . 0.0 109.982 -171.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 18.4 tp 59.42 42.72 17.44 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.694 1.598 . . . . 0.0 110.839 -175.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -101.88 -112.44 0.21 Allowed 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 171.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.255 0 CA-C-O 117.332 -1.816 . . . . 0.0 111.2 -178.58 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.474 0.758 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.89 37.85 0.15 Allowed 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.698 -0.626 . . . . 0.0 110.75 170.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.68 -46.94 99.54 Favored Pre-proline 0 N--CA 1.449 -0.506 0 C-N-CA 124.466 1.107 . . . . 0.0 113.321 -168.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -58.01 -51.73 7.25 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 121.88 1.72 . . . . 0.0 111.25 178.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 94.5 mt -57.62 -49.36 76.68 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 178.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -58.09 -51.01 71.47 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -55.34 -43.85 75.38 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.7 -53.15 44.86 Favored 'General case' 0 N--CA 1.456 -0.154 0 O-C-N 122.289 -0.257 . . . . 0.0 110.481 -175.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 66.3 mt -55.86 -52.65 46.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 123.936 0.895 . . . . 0.0 108.806 178.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.53 -51.72 46.21 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.459 ' C ' HD23 ' B' ' 11' ' ' LEU . 6.4 tt -56.17 -55.69 30.03 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.958 0.903 . . . . 0.0 110.228 178.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 60.9 mt -57.25 -51.67 68.4 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 123.453 0.701 . . . . 0.0 110.586 -177.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 10.0 mm -51.57 -48.95 35.31 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.187 0 C-N-CA 123.572 0.749 . . . . 0.0 109.537 173.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -52.51 -66.64 2.53 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 123.835 0.731 . . . . 0.0 111.542 177.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 34.1 pt -60.44 -39.22 80.43 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.103 0 O-C-N 121.498 -1.001 . . . . 0.0 110.959 -175.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -67.67 -36.23 80.33 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 121.908 -0.495 . . . . 0.0 111.346 -179.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -60.16 -46.68 88.86 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 169.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -58.44 -44.09 89.02 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 118.667 0.667 . . . . 0.0 110.246 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -62.97 -78.12 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.784 174.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 88.8 p -67.45 -24.16 65.6 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 -168.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -46.94 -43.86 17.58 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 124.373 0.987 . . . . 0.0 112.987 -173.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -55.69 -29.62 59.69 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -113.33 18.19 17.98 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.511 1.524 . . . . 0.0 111.206 177.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 20.64 -91.38 0.01 OUTLIER Glycine 0 CA--C 1.529 0.91 0 C-N-CA 128.938 3.161 . . . . 0.0 115.277 -178.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -44.75 -42.22 7.54 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 125.92 1.688 . . . . 0.0 112.167 -178.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -71.0 80.37 0.66 Allowed 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 175.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -69.43 64.64 0.17 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.134 1.374 . . . . 0.0 109.71 174.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 8.4 p -142.51 152.43 42.66 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 126.042 1.737 . . . . 0.0 106.853 -173.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 3.7 tt -93.81 104.82 16.88 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 105.303 -2.11 . . . . 0.0 105.303 172.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 89.1 p -94.27 158.54 15.54 Favored 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 123.417 0.687 . . . . 0.0 111.161 -172.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 15.9 pttm -29.03 -53.72 0.12 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.938 2.095 . . . . 0.0 114.861 175.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.07 -49.92 74.37 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.769 0.795 . . . . 0.0 110.37 178.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -70.5 -33.35 71.12 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.229 1.412 . . . . 0.0 109.967 -176.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 tt -61.48 -54.1 47.73 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 125.314 1.446 . . . . 0.0 108.394 174.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -53.29 -51.24 62.94 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 177.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -52.23 -52.81 50.22 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 122.74 0.416 . . . . 0.0 111.18 175.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.8 tt -52.26 -57.9 8.29 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 119.153 -0.451 . . . . 0.0 109.976 179.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 38.0 pt -61.78 -44.87 99.43 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 119.761 -0.775 . . . . 0.0 111.175 -174.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -67.97 -36.59 80.3 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 118.864 0.757 . . . . 0.0 111.942 -177.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -71.56 -55.58 7.54 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.747 0.703 . . . . 0.0 110.798 176.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -70.42 -15.81 62.88 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 119.001 -0.523 . . . . 0.0 112.242 -176.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 50.8 mt 74.39 -55.58 0.66 Allowed 'General case' 0 C--N 1.34 0.165 0 C-N-CA 126.723 2.009 . . . . 0.0 110.2 -177.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 31.0 p 66.28 -70.0 0.11 Allowed 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 127.172 2.189 . . . . 0.0 111.902 178.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 tp -74.87 57.75 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.481 0 C-N-CA 125.075 1.35 . . . . 0.0 111.207 -175.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -79.23 49.52 3.57 Favored Glycine 0 CA--C 1.528 0.884 0 O-C-N 120.631 -1.293 . . . . 0.0 111.596 178.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 18.1 m 68.82 -35.6 0.3 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.677 1.991 . . . . 0.0 115.428 173.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -72.72 77.6 1.11 Allowed 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 119.118 0.872 . . . . 0.0 110.53 -174.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 52.3 mt 6.47 -57.7 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.447 1 C-N-CA 131.797 4.039 . . . . 0.0 117.111 173.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.83 -45.39 1.78 Allowed 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.158 0.983 . . . . 0.0 111.212 170.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 17.0 p30 -61.63 -41.71 97.86 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 176.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.24 -43.49 70.95 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 170.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -62.89 -37.99 89.12 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 118.628 -0.701 . . . . 0.0 111.745 173.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 83.3 mt -60.88 -50.43 80.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 CA-C-N 120.252 1.387 . . . . 0.0 109.866 175.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 77.7 t -58.01 -44.43 86.97 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 C-N-CA 123.167 0.587 . . . . 0.0 109.908 178.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -56.94 -49.58 75.22 Favored 'General case' 0 C--O 1.223 -0.291 0 C-N-CA 122.928 0.491 . . . . 0.0 109.988 175.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 11.8 tp -58.42 -45.45 88.43 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 122.808 0.443 . . . . 0.0 110.161 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 12.8 tmm? -55.8 -52.49 63.82 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 174.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -56.72 -43.26 80.42 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 122.741 0.416 . . . . 0.0 111.303 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -59.8 -48.47 81.55 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 124.364 1.066 . . . . 0.0 110.068 176.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 57.3 tp -57.0 -44.69 83.0 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.338 0.517 . . . . 0.0 110.332 175.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -67.93 -9.84 48.47 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.73 0.812 . . . . 0.0 112.824 173.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 46.53 30.9 1.19 Allowed 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 126.284 1.834 . . . . 0.0 111.162 -169.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 53.88 26.74 6.46 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.591 1.156 . . . . 0.0 111.866 -177.415 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 35.5 mtmm -76.35 -28.1 56.7 Favored 'General case' 0 C--O 1.227 -0.099 0 O-C-N 120.813 -1.179 . . . . 0.0 111.507 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 32.2 t70 50.78 59.39 4.63 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 125.355 1.462 . . . . 0.0 110.023 -171.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -118.8 -109.24 0.36 Allowed 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.671 0.788 . . . . 0.0 109.405 177.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -131.17 119.39 21.81 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 125.516 1.526 . . . . 0.0 108.323 -174.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 86.8 t -93.95 133.65 34.27 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.173 0 N-CA-C 105.663 -1.977 . . . . 0.0 105.663 169.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -89.17 149.6 23.07 Favored 'General case' 0 N--CA 1.462 0.151 0 O-C-N 120.853 -1.154 . . . . 0.0 109.07 -169.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -42.65 -49.59 5.53 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 113.696 0.999 . . . . 0.0 113.696 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -59.75 -38.49 81.92 Favored 'General case' 0 C--O 1.225 -0.22 0 O-C-N 121.195 -0.94 . . . . 0.0 110.223 179.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -66.26 -37.56 85.78 Favored 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 121.638 -0.664 . . . . 0.0 110.237 177.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -57.54 -50.56 72.69 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.523 0.601 . . . . 0.0 110.29 172.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 26.0 mm -57.47 -51.78 65.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 O-C-N 121.721 -0.612 . . . . 0.0 111.134 176.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 9.8 m -58.84 -37.16 75.83 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.764 -0.585 . . . . 0.0 110.169 -178.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -61.57 -48.03 82.84 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.89 0.876 . . . . 0.0 110.656 174.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 tp -52.57 -48.62 66.07 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 173.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.86 -56.34 14.35 Favored Glycine 0 CA--C 1.529 0.914 0 N-CA-C 112.051 -0.42 . . . . 0.0 112.051 173.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.39 -45.23 76.65 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.361 1.064 . . . . 0.0 111.303 -177.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 81.8 mt -60.17 -56.7 18.34 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 122.173 -0.329 . . . . 0.0 110.124 175.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.15 -36.67 61.11 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.798 -0.564 . . . . 0.0 112.112 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 24.2 ttt -55.72 -18.81 9.01 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.471 1.109 . . . . 0.0 113.535 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.7 pp -61.97 -23.48 31.62 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 CA-C-N 119.72 1.145 . . . . 0.0 111.966 173.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 50.28 61.35 3.24 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 124.968 1.307 . . . . 0.0 113.208 173.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -42.59 113.09 0.42 Allowed 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.286 1.034 . . . . 0.0 110.145 170.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 54.49 40.33 31.73 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.645 0.778 . . . . 0.0 111.354 177.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 51.9 35.47 15.8 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.014 0.926 . . . . 0.0 110.905 -175.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 65.2 mt 55.87 51.04 12.83 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.507 1.123 . . . . 0.0 111.582 -171.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -43.83 -38.47 3.32 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.026 0.531 . . . . 0.0 111.813 169.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.329 0 CA-C-O 117.248 -1.862 . . . . 0.0 109.744 169.275 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.8 tmm? . . . . . 0 N--CA 1.475 0.814 0 N-CA-C 110.466 -0.198 . . . . 0.0 110.466 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -160.97 125.73 3.61 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 174.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -45.34 -60.06 3.69 Favored Pre-proline 0 CA--C 1.539 0.557 0 C-N-CA 123.918 0.887 . . . . 0.0 112.716 -176.172 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -79.57 60.06 7.66 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 122.295 1.997 . . . . 0.0 110.301 177.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.4 mt -41.93 -58.52 2.02 Favored 'General case' 0 C--N 1.342 0.243 0 C-N-CA 124.685 1.194 . . . . 0.0 111.013 -176.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -57.91 -47.46 82.77 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 123.174 0.59 . . . . 0.0 111.546 -172.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -60.4 -45.31 94.02 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.67 -61.24 1.98 Allowed 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.433 0.635 . . . . 0.0 110.149 -172.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.6 tt -66.73 -40.21 85.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.602 -175.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.77 -50.63 65.4 Favored Glycine 0 C--N 1.339 0.711 0 N-CA-C 110.515 -1.034 . . . . 0.0 110.515 176.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.9 tp -57.47 -53.72 54.92 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 118.131 0.966 . . . . 0.0 109.896 176.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.8 tp -55.2 -50.61 68.95 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 120.765 0.317 . . . . 0.0 111.484 -176.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 84.6 mt -61.31 -42.3 93.06 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.274 0 C-N-CA 123.269 0.628 . . . . 0.0 109.603 176.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.64 -54.74 28.77 Favored Glycine 0 CA--C 1.528 0.881 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 176.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 32.5 mm -60.26 -36.76 70.56 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 O-C-N 122.127 -0.631 . . . . 0.0 110.635 178.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -60.36 -55.62 31.38 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.983 0.811 . . . . 0.0 110.24 173.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -61.94 -24.98 67.33 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 124.668 1.187 . . . . 0.0 111.334 -177.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -53.54 -46.5 70.22 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 118.838 0.745 . . . . 0.0 109.265 170.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -78.36 -63.87 1.3 Allowed 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 177.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.4 m -54.91 -24.16 22.26 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -174.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.63 -30.34 13.54 Favored Glycine 0 CA--C 1.526 0.779 0 C-N-CA 125.333 1.444 . . . . 0.0 113.642 172.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -75.02 58.99 0.9 Allowed 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.402 1.601 . . . . 0.0 110.696 174.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 52.27 47.94 23.69 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.066 1.746 . . . . 0.0 112.841 176.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.56 -42.45 97.41 Favored Glycine 0 CA--C 1.532 1.096 0 N-CA-C 109.799 -1.32 . . . . 0.0 109.799 169.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.0 t70 68.23 -67.68 0.19 Allowed 'General case' 0 C--N 1.339 0.125 0 C-N-CA 127.444 2.298 . . . . 0.0 110.883 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -71.15 143.98 50.37 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 169.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -67.59 72.27 0.14 Allowed 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 122.608 1.194 . . . . 0.0 110.048 -178.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 65.6 p -146.74 171.2 15.51 Favored 'General case' 0 N--CA 1.435 -1.192 0 C-N-CA 126.705 2.002 . . . . 0.0 107.483 -169.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.7 tt -121.1 111.08 17.0 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 105.315 -2.106 . . . . 0.0 105.315 172.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.9 t -93.93 160.8 14.57 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.92 1.288 . . . . 0.0 111.469 -168.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -24.16 -64.47 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 127.855 2.462 . . . . 0.0 113.464 175.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.4 pttt -46.73 -51.71 15.57 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.248 1.819 . . . . 0.0 112.155 177.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -74.09 -34.58 64.03 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 124.938 1.295 . . . . 0.0 109.648 -175.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 36.7 tp -64.55 -46.32 83.3 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 176.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -56.3 -48.47 76.59 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.035 0.534 . . . . 0.0 110.67 171.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -51.45 -55.87 16.39 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.466 0.575 . . . . 0.0 110.896 175.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 58.7 tp -54.52 -52.09 63.1 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.399 0.68 . . . . 0.0 110.372 179.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 57.7 mt -53.62 -47.31 61.19 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 C-N-CA 123.513 0.725 . . . . 0.0 110.179 178.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -56.51 -51.66 67.66 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 178.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -55.1 -52.45 63.19 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 118.468 0.576 . . . . 0.0 111.676 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -55.31 -38.34 68.54 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 122.691 0.396 . . . . 0.0 111.668 178.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.5 tp -70.74 -39.8 73.09 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.155 0.582 . . . . 0.0 110.069 178.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 47.7 m 56.47 -87.54 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.344 1.857 . . . . 0.0 109.568 -169.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.6 pt -142.6 25.1 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 125.18 1.392 . . . . 0.0 110.606 176.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -74.77 -167.92 20.17 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 178.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 82.2 p -151.74 -104.93 0.06 Allowed 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.985 -0.715 . . . . 0.0 110.686 175.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -54.87 -66.46 0.4 Allowed 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.517 1.127 . . . . 0.0 111.958 -168.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -58.61 -49.44 77.48 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-O 121.357 0.598 . . . . 0.0 109.627 -173.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -56.92 -47.38 80.72 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.966 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -68.21 -35.9 78.71 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 118.869 -0.586 . . . . 0.0 112.343 -179.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.07 -45.79 71.81 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 169.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -64.4 -33.83 76.76 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 117.701 -1.143 . . . . 0.0 112.385 171.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 43.0 mm -62.46 -43.65 98.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 121.356 1.889 . . . . 0.0 110.281 173.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 70.4 t -61.34 -48.69 87.75 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 O-C-N 121.588 -0.695 . . . . 0.0 109.64 177.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -55.63 -48.26 75.24 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 122.096 -0.378 . . . . 0.0 110.376 176.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 69.7 tp -57.99 -50.06 74.69 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.458 0.703 . . . . 0.0 109.857 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 58.7 tpp -52.15 -54.27 32.74 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.528 0.731 . . . . 0.0 109.158 176.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -53.56 -51.94 61.3 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.794 0.438 . . . . 0.0 111.468 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -61.71 -46.53 89.27 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.288 0.635 . . . . 0.0 112.501 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 60.4 tp -79.92 -45.75 17.99 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.997 1.319 . . . . 0.0 112.694 -168.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -73.36 67.82 1.04 Allowed 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.14 0.976 . . . . 0.0 112.63 -167.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -79.69 54.49 1.82 Allowed 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.162 0.985 . . . . 0.0 109.523 173.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -166.17 -96.44 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 125.354 1.461 . . . . 0.0 107.931 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -169.91 157.44 6.71 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 126.683 1.993 . . . . 0.0 105.685 171.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -76.07 70.59 2.77 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.124 0.488 . . . . 0.0 110.795 -171.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -130.62 -58.02 1.04 Allowed 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 126.453 1.901 . . . . 0.0 108.694 174.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -145.07 151.71 38.96 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 106.568 -1.642 . . . . 0.0 106.568 172.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.8 m -116.91 150.21 18.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 169.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -91.9 160.12 15.43 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 121.52 -0.737 . . . . 0.0 110.168 -169.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -42.7 -42.76 3.62 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 169.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.0 tm0? -50.43 -45.95 56.18 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.117 -0.989 . . . . 0.0 111.165 172.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -68.83 -35.88 77.51 Favored 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 121.38 -0.825 . . . . 0.0 109.789 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -59.72 -45.64 91.55 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.1 0.864 . . . . 0.0 111.215 170.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 29.9 mm -56.61 -46.04 82.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 O-C-N 120.754 -1.216 . . . . 0.0 109.737 173.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.3 m -61.24 -36.73 80.77 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.664 -0.647 . . . . 0.0 110.668 177.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -57.26 -50.53 72.6 Favored 'General case' 0 C--N 1.339 0.15 0 CA-C-N 119.145 0.884 . . . . 0.0 109.75 173.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.1 tp -51.32 -52.17 47.8 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 176.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -52.95 -55.67 22.55 Favored Glycine 0 CA--C 1.533 1.169 0 N-CA-C 112.428 -0.269 . . . . 0.0 112.428 176.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.42 -52.74 60.8 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.001 1.32 . . . . 0.0 110.827 -175.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.51 -48.47 80.91 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 177.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.36 -32.75 26.85 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-O 118.046 -0.978 . . . . 0.0 113.134 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.2 mmm -48.48 -22.45 0.73 Allowed 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 175.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 15.7 tt -47.81 -41.57 8.9 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 CA-C-N 119.397 0.999 . . . . 0.0 111.455 171.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 21.0 m-30 57.76 -70.8 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 127.346 2.258 . . . . 0.0 115.188 174.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -22.9 -63.74 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 128.12 2.568 . . . . 0.0 115.233 -168.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 34.9 mp0 -71.39 -29.83 65.4 Favored 'General case' 0 C--N 1.333 -0.112 0 O-C-N 121.83 -0.543 . . . . 0.0 112.306 -172.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -77.63 -58.48 3.24 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 174.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.6 mt -79.38 46.16 0.71 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.275 1.03 . . . . 0.0 110.894 178.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -66.16 -37.45 85.68 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.501 0.72 . . . . 0.0 111.755 -177.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.182 0 CA-C-O 116.985 -2.009 . . . . 0.0 112.094 -173.979 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mpp? . . . . . 0 N--CA 1.475 0.776 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.59 170.39 22.49 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 106.961 -1.496 . . . . 0.0 106.961 174.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.37 143.77 64.57 Favored Pre-proline 0 CA--C 1.538 0.517 0 C-N-CA 123.171 0.588 . . . . 0.0 110.82 -177.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -52.34 -51.64 10.68 Favored 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 123.966 3.111 . . . . 0.0 113.515 -168.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 81.4 mt -54.72 -58.42 7.59 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 120.792 0.329 . . . . 0.0 110.491 -177.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -67.06 -33.96 76.63 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 119.033 -0.508 . . . . 0.0 111.706 -176.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.18 -46.17 91.59 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.699 0.681 . . . . 0.0 109.405 173.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.37 -49.51 69.03 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 123.072 0.549 . . . . 0.0 110.569 -176.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 85.7 mt -54.55 -52.15 43.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 173.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.31 -52.26 13.77 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 124.571 1.082 . . . . 0.0 111.403 176.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 6.1 tt -57.42 -64.95 0.72 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.444 0.698 . . . . 0.0 109.934 177.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 30.1 tp -57.37 -54.23 49.22 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 121.454 0.645 . . . . 0.0 110.733 -172.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 41.8 mm -64.6 -38.14 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 -178.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.1 -43.12 73.22 Favored Glycine 0 CA--C 1.528 0.879 0 CA-C-N 118.816 0.734 . . . . 0.0 111.981 173.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 32.5 mm -64.75 -59.09 4.69 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-N 117.963 0.881 . . . . 0.0 109.343 173.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -45.48 -51.98 10.89 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.361 1.064 . . . . 0.0 111.497 -177.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -41.2 -39.78 1.41 Allowed 'General case' 0 C--N 1.335 -0.029 0 C-N-CA 129.058 2.943 . . . . 0.0 113.227 178.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -60.7 -44.7 96.23 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 118.199 0.454 . . . . 0.0 110.123 -174.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -82.9 -72.61 0.44 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 122.207 1.003 . . . . 0.0 108.66 172.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 73.1 m -80.92 64.6 5.74 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 125.267 1.427 . . . . 0.0 110.4 -174.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 157.48 50.9 0.01 OUTLIER Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 176.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.12 70.71 1.1 Allowed 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 117.621 0.711 . . . . 0.0 110.416 179.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 67.91 -63.71 0.31 Allowed 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 126.467 1.907 . . . . 0.0 109.756 -170.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.02 131.09 48.33 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 108.443 -1.863 . . . . 0.0 108.443 169.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -76.03 60.62 1.43 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.078 0.951 . . . . 0.0 112.097 -171.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -71.05 73.08 0.61 Allowed 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 172.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 41.5 p-80 -76.19 47.19 0.44 Allowed 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.974 0.893 . . . . 0.0 110.776 177.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 34.5 p -145.7 152.49 39.69 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 105.255 -2.128 . . . . 0.0 105.255 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 19.2 tp -122.57 135.96 54.76 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.274 1.03 . . . . 0.0 108.319 -174.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 70.4 p -92.02 155.32 18.19 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 174.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 50.3 pttt -54.79 -33.87 61.96 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 122.418 -0.176 . . . . 0.0 110.949 171.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -58.13 -60.56 3.56 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.55 0.74 . . . . 0.0 110.215 172.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -53.78 -45.57 70.74 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 121.838 -0.539 . . . . 0.0 110.853 178.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 41.9 tp -58.57 -53.8 54.2 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.557 0.743 . . . . 0.0 110.676 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -45.91 91.96 Favored 'General case' 0 C--O 1.226 -0.134 0 CA-C-N 118.938 0.79 . . . . 0.0 110.696 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.8 -46.51 74.51 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.875 0.762 . . . . 0.0 111.048 175.368 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 55.1 tp -59.31 -51.49 69.72 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 121.848 -0.532 . . . . 0.0 110.621 177.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 78.3 mt -62.76 -41.31 91.93 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-N 118.971 0.805 . . . . 0.0 109.858 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -55.09 -47.3 75.12 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 121.333 -0.854 . . . . 0.0 110.025 174.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -62.28 -55.74 25.35 Favored 'General case' 0 CA--C 1.53 0.2 0 O-C-N 121.824 -0.548 . . . . 0.0 110.529 177.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -43.33 -44.61 5.62 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.649 1.98 . . . . 0.0 111.814 175.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 86.9 mt -93.98 -2.15 53.53 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.381 0.673 . . . . 0.0 112.442 -176.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 41.2 p 53.5 -104.58 0.21 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.731 1.612 . . . . 0.0 112.031 174.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 38.3 pt -81.72 -32.03 11.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 C-N-CA 124.489 1.116 . . . . 0.0 111.405 -178.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -53.79 -43.17 69.93 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 110.127 -1.189 . . . . 0.0 110.127 -176.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.9 m -31.86 -43.1 0.07 Allowed 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 128.695 2.798 . . . . 0.0 113.985 169.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -51.75 -38.27 54.7 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.212 0.605 . . . . 0.0 111.816 -177.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -102.35 -42.01 6.14 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 122.997 0.519 . . . . 0.0 110.422 174.031 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -63.27 -22.97 67.21 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-O 118.148 -0.93 . . . . 0.0 113.059 -174.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -59.74 -30.74 69.05 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 121.006 1.73 . . . . 0.0 114.455 -172.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.15 -47.02 72.4 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 121.491 0.662 . . . . 0.0 109.283 169.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -68.69 -33.01 73.24 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 117.802 -1.094 . . . . 0.0 111.058 174.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 90.5 mt -59.51 -52.48 60.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 121.016 1.735 . . . . 0.0 109.223 175.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 80.7 t -56.39 -50.97 69.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 122.718 0.407 . . . . 0.0 110.074 178.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -54.67 -45.99 73.98 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 119.86 -0.114 . . . . 0.0 110.925 178.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 65.5 tp -60.46 -51.05 71.1 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.957 0.903 . . . . 0.0 110.119 -179.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 47.0 mtm -54.37 -54.28 42.68 Favored 'General case' 0 C--N 1.339 0.125 0 CA-C-N 117.99 0.359 . . . . 0.0 110.191 177.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -53.98 -53.21 56.06 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 122.249 0.22 . . . . 0.0 110.998 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -59.88 -44.25 94.3 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.175 0.99 . . . . 0.0 111.689 -176.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -72.95 -59.19 2.82 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 -176.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -81.97 56.14 3.02 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.174 0.59 . . . . 0.0 110.864 -170.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -56.12 -38.45 70.8 Favored 'General case' 0 N--CA 1.462 0.149 0 O-C-N 122.033 -0.417 . . . . 0.0 111.298 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 25.0 p-10 -63.74 -51.54 64.47 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 122.99 0.516 . . . . 0.0 111.063 -178.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -152.12 76.72 1.18 Allowed 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.893 0.877 . . . . 0.0 110.583 -173.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -73.59 69.1 1.23 Allowed 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 168.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -149.83 -100.33 0.07 Allowed 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 126.128 1.771 . . . . 0.0 108.173 -171.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -120.23 127.93 52.88 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 127.056 2.142 . . . . 0.0 105.956 171.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 35.9 m -119.77 154.55 22.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 C-N-CA 124.594 1.158 . . . . 0.0 108.896 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -91.83 158.74 16.16 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 122.952 0.501 . . . . 0.0 109.953 -171.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -39.05 -47.12 1.47 Allowed 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 170.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -57.13 -39.09 74.46 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.055 -1.028 . . . . 0.0 111.473 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -70.75 -40.94 72.39 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 121.553 -0.717 . . . . 0.0 109.785 177.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -54.16 -50.74 66.3 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.18 0.446 . . . . 0.0 110.404 172.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 10.4 mm -53.32 -50.95 44.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 O-C-N 121.897 -0.502 . . . . 0.0 110.334 173.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 30.2 m -58.05 -38.0 75.45 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.73 -0.607 . . . . 0.0 111.02 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -58.97 -47.63 84.44 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.876 0.87 . . . . 0.0 109.531 175.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.37 -49.82 71.31 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 174.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.57 -56.21 9.91 Favored Glycine 0 C--O 1.222 -0.647 0 C-N-CA 124.469 1.033 . . . . 0.0 111.285 177.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.08 -52.54 64.89 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 118.333 1.067 . . . . 0.0 110.724 177.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 58.4 tp -54.14 -37.61 64.57 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.976 0.911 . . . . 0.0 111.615 -177.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.68 -52.87 7.41 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 117.966 0.348 . . . . 0.0 111.306 175.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 52.2 ttm -52.35 -38.45 58.74 Favored 'General case' 0 CA--C 1.528 0.109 0 C-N-CA 125.989 1.715 . . . . 0.0 111.682 -174.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 13.8 tt -54.31 -27.02 16.49 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 177.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -75.35 48.36 0.42 Allowed 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.813 0.845 . . . . 0.0 110.793 175.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.86 150.66 41.23 Favored 'General case' 0 N--CA 1.455 -0.183 0 O-C-N 121.28 -0.888 . . . . 0.0 109.125 178.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 70.86 -59.53 0.53 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.612 1.565 . . . . 0.0 109.725 -169.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.27 -35.69 62.83 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.383 1.073 . . . . 0.0 112.493 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 15.5 mt -53.73 -32.35 51.75 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 171.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 45.0 mttp 52.43 -115.28 0.91 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.724 1.21 . . . . 0.0 111.28 -178.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 117.52 -1.711 . . . . 0.0 108.982 -169.78 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.3 mtt . . . . . 0 N--CA 1.473 0.718 0 CA-C-O 121.408 0.623 . . . . 0.0 110.699 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.84 -147.49 0.12 Allowed 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.913 0.885 . . . . 0.0 110.482 174.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.361 58.4 m 32.3 -95.96 0.0 OUTLIER Pre-proline 0 CA--C 1.544 0.737 0 C-N-CA 125.887 1.675 . . . . 0.0 114.836 -169.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -75.16 60.72 5.63 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 CA-C-N 122.834 2.048 . . . . 0.0 110.588 176.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 mt -45.61 -61.12 1.83 Allowed 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 126.094 1.758 . . . . 0.0 110.504 -172.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -59.97 -44.78 94.24 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 112.33 0.492 . . . . 0.0 112.33 -171.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -62.53 -44.76 95.56 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 177.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.65 -54.51 10.13 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.248 0.546 . . . . 0.0 110.0 -169.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.5 mm -52.31 -52.47 24.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 170.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.79 -51.69 12.65 Favored Glycine 0 CA--C 1.525 0.677 0 C-N-CA 124.304 0.954 . . . . 0.0 112.179 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -59.89 -54.1 50.15 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 117.719 0.76 . . . . 0.0 110.215 178.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -60.53 -53.06 62.02 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.179 0.592 . . . . 0.0 110.992 -173.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mp -53.41 -50.7 47.03 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.263 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 171.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -45.64 -56.87 6.24 Favored Glycine 0 CA--C 1.525 0.681 0 C-N-CA 124.9 1.238 . . . . 0.0 111.916 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.1 tt -64.78 -49.98 77.54 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 CA-C-N 117.875 0.837 . . . . 0.0 110.931 177.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -58.21 -44.07 87.96 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.827 0.739 . . . . 0.0 111.531 -172.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -50.29 -30.05 11.06 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 126.174 1.789 . . . . 0.0 111.447 177.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -60.45 -47.99 83.72 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 119.534 1.061 . . . . 0.0 109.787 175.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -61.33 -49.57 76.46 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.0 m -48.2 -51.15 26.54 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.821 -0.172 . . . . 0.0 110.625 172.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.12 -56.95 9.47 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 125.424 1.488 . . . . 0.0 111.507 177.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -77.92 60.92 2.42 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 118.103 0.951 . . . . 0.0 111.233 174.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 62.88 26.55 15.62 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 126.4 1.88 . . . . 0.0 114.075 169.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.55 48.34 3.42 Favored Glycine 0 CA--C 1.532 1.12 0 CA-C-N 119.197 0.908 . . . . 0.0 111.923 175.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.7 t70 53.76 -75.21 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 128.057 2.543 . . . . 0.0 113.485 -178.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -150.01 -54.67 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 127.296 2.238 . . . . 0.0 106.199 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -151.47 60.39 0.89 Allowed 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.643 173.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.5 p -135.85 170.19 16.39 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 173.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.1 mt -118.91 113.84 21.67 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 126.162 1.785 . . . . 0.0 107.366 176.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.9 m -92.91 165.53 12.84 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 168.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -30.86 -52.59 0.18 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 127.527 2.331 . . . . 0.0 114.13 -171.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -63.7 -50.48 69.0 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.219 0.463 . . . . 0.0 111.257 -177.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -64.1 -43.16 96.19 Favored 'General case' 0 N--CA 1.455 -0.176 0 O-C-N 121.914 -0.491 . . . . 0.0 109.897 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 36.7 tp -58.0 -49.82 75.53 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.7 tmtm? -54.16 -49.39 69.4 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.824 0.849 . . . . 0.0 109.878 175.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -54.14 -53.48 52.77 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.59 0.632 . . . . 0.0 110.921 176.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.1 tp -54.65 -57.13 12.66 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.854 0.461 . . . . 0.0 110.045 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.6 mp -56.88 -47.49 82.97 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.245 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 -178.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -54.34 -50.6 67.04 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.53 0.732 . . . . 0.0 110.564 178.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.7 ttpp -59.46 -44.79 92.92 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 122.855 0.462 . . . . 0.0 110.912 177.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -63.38 -31.04 72.08 Favored 'General case' 0 CA--C 1.535 0.404 0 O-C-N 121.958 -0.464 . . . . 0.0 111.963 175.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.8 mt -77.16 49.96 0.72 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.071 0.948 . . . . 0.0 110.519 173.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.61 -0.26 25.81 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.614 1.166 . . . . 0.0 110.11 168.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 26.7 mm 70.36 -71.62 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.221 0 C-N-CA 126.825 2.05 . . . . 0.0 109.658 177.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 30.17 -93.88 0.01 OUTLIER Glycine 0 CA--C 1.531 1.069 0 C-N-CA 127.22 2.343 . . . . 0.0 114.845 177.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 75.8 p -71.26 -19.51 62.34 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.301 1.04 . . . . 0.0 113.595 -173.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 80.4 tttt 72.35 -50.75 0.7 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.555 1.942 . . . . 0.0 109.88 -168.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.0 mt -41.16 -51.87 3.39 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 125.237 1.415 . . . . 0.0 110.667 169.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -49.52 -40.1 36.67 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 177.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -81.01 -43.34 19.73 Favored 'General case' 0 CA--C 1.516 -0.346 0 O-C-N 121.518 -0.739 . . . . 0.0 112.193 -177.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.5 -46.94 57.44 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 170.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -59.51 -49.6 77.14 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 114.757 -1.111 . . . . 0.0 110.862 173.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.2 mp -63.53 -45.02 98.88 Favored 'Isoleucine or valine' 0 C--N 1.343 0.322 0 CA-C-N 120.873 1.669 . . . . 0.0 110.359 -174.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.8 t -55.85 -56.29 13.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 123.403 0.681 . . . . 0.0 109.54 178.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -56.2 -52.23 65.15 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 120.794 0.33 . . . . 0.0 110.674 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 79.0 mt -64.1 -49.88 70.49 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 118.994 -0.527 . . . . 0.0 110.609 -173.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.3 ptm -60.95 -41.98 97.34 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 119.195 0.907 . . . . 0.0 110.289 179.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -56.38 -54.48 45.02 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 117.831 0.287 . . . . 0.0 110.563 176.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -56.87 -48.38 78.25 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 121.133 0.492 . . . . 0.0 111.968 178.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 65.7 mt -76.27 -35.18 59.05 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.062 0.545 . . . . 0.0 112.235 -169.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -78.56 62.83 3.23 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 119.031 0.832 . . . . 0.0 111.926 -174.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 47.7 mtm-85 -74.91 64.5 1.31 Allowed 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 168.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 48.7 35.47 6.36 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.126 1.37 . . . . 0.0 111.471 -167.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -87.83 -13.79 41.22 Favored 'General case' 0 C--O 1.223 -0.318 0 C-N-CA 123.876 0.87 . . . . 0.0 111.547 -179.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -48.39 -23.95 1.09 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.099 0.96 . . . . 0.0 113.46 176.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -55.25 -59.48 4.73 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.236 1.014 . . . . 0.0 110.292 168.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -148.32 108.63 4.12 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.825 1.65 . . . . 0.0 110.652 171.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.9 t -92.36 127.31 44.64 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.102 0 N-CA-C 104.736 -2.32 . . . . 0.0 104.736 169.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -89.94 152.29 21.29 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 119.796 1.18 . . . . 0.0 110.461 -168.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -41.93 -44.06 3.3 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.966 0.907 . . . . 0.0 113.089 174.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -61.0 -37.85 83.99 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.23 -0.919 . . . . 0.0 111.01 178.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -67.41 -40.53 85.57 Favored 'General case' 0 N--CA 1.454 -0.275 0 O-C-N 121.452 -0.78 . . . . 0.0 109.764 173.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -56.75 -44.96 82.25 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.61 0.641 . . . . 0.0 110.634 173.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.47 -43.85 94.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 O-C-N 121.408 -0.807 . . . . 0.0 110.356 179.199 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.3 m -59.31 -43.91 92.59 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.767 -0.583 . . . . 0.0 109.457 177.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -53.98 -46.02 71.58 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.708 1.203 . . . . 0.0 110.53 170.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.55 -49.39 76.51 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 177.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -52.0 -55.69 20.05 Favored Glycine 0 N--CA 1.447 -0.571 0 CA-C-O 119.247 -0.752 . . . . 0.0 111.709 177.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.55 -55.48 28.81 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 117.789 0.795 . . . . 0.0 110.598 178.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.9 tp -53.8 -42.51 68.45 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.874 1.27 . . . . 0.0 111.041 -177.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.36 -65.28 0.75 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.167 0.587 . . . . 0.0 110.604 176.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 13.9 ptm -59.38 -26.92 65.51 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.82 0.848 . . . . 0.0 113.207 -168.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.0 tt -51.76 -31.84 13.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 CA-C-N 119.18 0.9 . . . . 0.0 111.136 174.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -72.29 14.59 0.22 Allowed 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.272 0.842 . . . . 0.0 113.272 177.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -30.83 -50.41 0.14 Allowed 'General case' 0 C--N 1.342 0.251 0 C-N-CA 127.121 2.168 . . . . 0.0 113.95 175.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -56.47 -38.29 71.49 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.123 0.569 . . . . 0.0 111.961 -176.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -81.89 -52.42 7.1 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 176.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 96.1 mt -54.11 -32.91 56.4 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.653 0.781 . . . . 0.0 112.194 -175.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -41.35 -44.41 2.76 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.425 1.49 . . . . 0.0 111.877 170.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.095 0 CA-C-O 117.294 -1.837 . . . . 0.0 111.71 -174.067 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 92.6 mtp . . . . . 0 N--CA 1.472 0.636 0 N-CA-C 110.787 -0.079 . . . . 0.0 110.787 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.83 -77.01 0.09 Allowed 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 122.615 0.366 . . . . 0.0 111.466 -169.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -62.47 144.56 95.42 Favored Pre-proline 0 CA--C 1.536 0.423 0 CA-C-O 118.866 -0.587 . . . . 0.0 109.892 -177.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -54.92 -47.68 25.3 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 122.683 2.256 . . . . 0.0 110.808 -177.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 88.6 mt -56.82 -39.98 75.17 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 122.85 0.46 . . . . 0.0 111.216 175.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -66.81 -49.08 66.95 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 122.058 -0.401 . . . . 0.0 110.066 -176.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -63.28 -33.92 76.56 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 119.78 -0.768 . . . . 0.0 111.473 173.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.38 -50.42 72.96 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 119.287 0.949 . . . . 0.0 110.317 177.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 78.7 mt -57.59 -46.83 86.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 174.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.15 -55.36 10.42 Favored Glycine 0 CA--C 1.529 0.958 0 C-N-CA 123.854 0.74 . . . . 0.0 111.597 175.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 7.3 mp -55.47 -56.05 24.72 Favored 'General case' 0 C--O 1.226 -0.175 0 C-N-CA 123.522 0.729 . . . . 0.0 109.553 175.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 24.4 tp -50.31 -56.44 11.26 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.184 0.447 . . . . 0.0 111.202 -176.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 47.1 mm -63.33 -50.17 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 C-N-CA 123.051 0.54 . . . . 0.0 109.895 -178.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.95 -49.57 61.92 Favored Glycine 0 CA--C 1.53 0.99 0 CA-C-N 118.68 0.673 . . . . 0.0 111.646 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 90.8 mt -57.56 -53.78 39.86 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 175.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -53.57 -44.43 69.31 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.812 -0.555 . . . . 0.0 111.654 -179.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -42.82 71.92 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.706 1.202 . . . . 0.0 110.836 175.019 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 51.3 tttm -55.8 -42.73 76.04 Favored 'General case' 0 C--N 1.34 0.169 0 CA-C-N 118.095 0.407 . . . . 0.0 109.919 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -72.1 -71.3 0.29 Allowed 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 174.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 37.9 p -51.91 -30.23 23.37 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.17 0.988 . . . . 0.0 113.495 -169.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -50.24 -42.84 41.99 Favored Glycine 0 CA--C 1.527 0.842 0 O-C-N 121.362 -0.836 . . . . 0.0 113.945 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 4.5 ptpp? -74.4 -33.51 63.03 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.561 1.18 . . . . 0.0 112.939 -169.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -164.75 30.4 0.07 Allowed 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.136 0.425 . . . . 0.0 111.606 -171.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.97 -11.32 84.82 Favored Glycine 0 CA--C 1.527 0.794 0 O-C-N 120.808 -1.183 . . . . 0.0 112.785 -173.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 25.7 t70 70.68 -63.32 0.41 Allowed 'General case' 0 C--N 1.339 0.132 0 C-N-CA 126.407 1.883 . . . . 0.0 109.891 -169.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.01 -154.84 0.66 Allowed 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 169.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -75.81 62.09 1.5 Allowed 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.836 0.827 . . . . 0.0 109.487 174.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 16.4 p -144.65 170.06 16.8 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 128.434 2.694 . . . . 0.0 105.29 -174.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 12.0 tp -118.71 141.11 48.92 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.195 0.998 . . . . 0.0 109.922 -169.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 78.6 p -121.2 162.45 20.14 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.176 0.99 . . . . 0.0 113.217 -176.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -44.46 -45.92 9.38 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.752 1.221 . . . . 0.0 112.788 178.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -55.78 -39.59 71.47 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 121.625 -0.672 . . . . 0.0 110.761 178.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -77.13 -30.82 55.35 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.673 0.789 . . . . 0.0 110.131 -178.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.93 -46.29 89.99 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 121.424 -0.797 . . . . 0.0 109.129 168.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -59.76 -41.09 90.26 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.308 -0.87 . . . . 0.0 110.756 175.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -53.75 -52.13 61.17 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.638 -0.664 . . . . 0.0 109.696 171.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 58.4 tp -55.34 -49.91 71.01 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.042 0.537 . . . . 0.0 110.934 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 95.7 mt -53.06 -54.27 17.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 176.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -56.88 -37.44 71.37 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 122.412 -0.18 . . . . 0.0 111.401 178.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -53.1 54.0 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.262 0.625 . . . . 0.0 111.084 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -69.2 -32.44 71.73 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 119.393 -0.337 . . . . 0.0 111.386 -179.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 41.9 tp -6.44 -90.68 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 128.372 2.669 . . . . 0.0 114.732 -168.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 32.8 m 68.41 -41.82 0.46 Allowed 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.878 1.671 . . . . 0.0 114.349 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . 0.375 35.6 pt 58.85 -65.3 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 128.136 2.574 . . . . 0.0 113.103 -169.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 34.96 -97.57 0.01 OUTLIER Glycine 0 CA--C 1.532 1.148 0 C-N-CA 126.442 1.972 . . . . 0.0 113.944 178.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.5 m -75.23 -2.77 29.53 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.855 1.662 . . . . 0.0 113.778 -174.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? 67.73 -60.87 0.38 Allowed 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 127.224 2.21 . . . . 0.0 111.983 -176.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 80.9 mt -49.78 -39.89 39.6 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.202 1.001 . . . . 0.0 111.154 178.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -49.62 -33.67 16.0 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 175.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -64.91 -37.42 87.57 Favored 'General case' 0 N--CA 1.455 -0.204 0 O-C-N 120.964 -1.085 . . . . 0.0 111.279 177.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.48 -40.73 87.89 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 173.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -62.85 -36.53 83.55 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 118.888 -0.577 . . . . 0.0 111.342 172.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 91.6 mt -64.17 -45.91 95.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-N 119.746 1.157 . . . . 0.0 109.184 176.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 77.5 t -59.01 -43.92 90.04 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 O-C-N 121.75 -0.594 . . . . 0.0 110.415 176.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 19.1 ttpp -56.68 -50.73 71.26 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.65 -0.656 . . . . 0.0 109.838 175.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 38.9 tp -59.5 -42.45 92.2 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 122.872 0.469 . . . . 0.0 110.707 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 2.2 ttp -55.64 -52.32 64.22 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.382 0.673 . . . . 0.0 109.794 172.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -55.33 -47.35 75.82 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 122.03 -0.418 . . . . 0.0 110.799 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -57.13 -53.12 61.67 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.825 0.85 . . . . 0.0 109.998 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 21.5 tp -53.77 -44.65 70.23 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 123.949 0.9 . . . . 0.0 110.908 175.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -68.84 -12.78 61.91 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 177.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 51.43 36.44 16.63 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 -168.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 76.8 -22.94 0.26 Allowed 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 128.575 2.75 . . . . 0.0 114.36 -175.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -78.47 67.89 4.35 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 120.973 -1.079 . . . . 0.0 110.949 -175.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -70.41 76.82 0.56 Allowed 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.552 -0.717 . . . . 0.0 110.935 179.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.49 -85.54 0.12 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 126.132 1.773 . . . . 0.0 108.192 178.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -138.62 138.11 37.56 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 106.53 -1.655 . . . . 0.0 106.53 168.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 34.5 m -139.25 158.21 28.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 124.661 1.184 . . . . 0.0 109.751 -171.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -93.32 153.32 18.62 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.054 0.542 . . . . 0.0 111.103 -169.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 93.6 t80 -45.45 -38.67 6.32 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.503 1.121 . . . . 0.0 113.131 173.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.0 tm0? -45.82 -42.78 12.72 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.134 -0.978 . . . . 0.0 111.241 172.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -73.69 -30.82 63.1 Favored 'General case' 0 N--CA 1.449 -0.507 0 O-C-N 121.456 -0.777 . . . . 0.0 109.859 -177.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -62.2 -46.36 89.23 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 121.67 -0.643 . . . . 0.0 110.352 169.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 23.9 mm -57.9 -47.22 86.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 O-C-N 122.022 -0.424 . . . . 0.0 109.948 173.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 23.5 m -56.8 -43.91 81.41 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 177.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -54.81 -50.39 68.68 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 124.04 0.936 . . . . 0.0 111.321 172.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 16.4 tp -55.41 -52.04 64.88 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 177.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -49.47 -59.38 7.21 Favored Glycine 0 C--N 1.336 0.53 0 C-N-CA 124.027 0.822 . . . . 0.0 111.693 177.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.47 -55.65 29.35 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 124.079 0.952 . . . . 0.0 110.34 -179.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 43.7 tp -57.06 -52.53 64.91 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.505 0.722 . . . . 0.0 110.657 -175.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.83 -47.45 85.65 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 122.057 -0.402 . . . . 0.0 111.192 178.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 28.6 ttt -62.91 -36.76 84.45 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 122.105 -0.372 . . . . 0.0 111.238 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 51.4 mt -62.15 -42.62 95.84 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 C-N-CA 124.172 0.989 . . . . 0.0 109.16 174.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -73.76 52.61 0.42 Allowed 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.727 0.775 . . . . 0.0 110.515 169.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -62.26 -48.53 79.49 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.675 0.79 . . . . 0.0 110.234 -169.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.65 -47.32 50.03 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.737 0.815 . . . . 0.0 111.738 177.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.76 -45.89 73.65 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 122.821 0.448 . . . . 0.0 110.324 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 34.7 tp -57.24 -32.22 66.34 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.331 0.653 . . . . 0.0 111.738 177.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 120.74 48.31 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 130.451 3.5 . . . . 0.0 111.218 169.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.117 0 CA-C-O 117.378 -1.79 . . . . 0.0 111.083 169.998 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.5 tpp . . . . . 0 N--CA 1.476 0.865 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.63 -29.72 27.66 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.548 1.139 . . . . 0.0 113.019 -177.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.3 p -144.73 163.53 33.0 Favored Pre-proline 0 N--CA 1.45 -0.47 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 170.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -51.86 -43.56 50.93 Favored 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 122.49 2.126 . . . . 0.0 111.308 169.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 11.0 mp -55.59 -55.09 36.05 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 175.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -63.17 -33.32 75.23 Favored 'General case' 0 C--O 1.226 -0.176 0 O-C-N 121.862 -0.524 . . . . 0.0 112.159 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -59.5 -49.58 77.22 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.701 0.682 . . . . 0.0 109.331 172.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.83 -52.96 61.11 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 122.777 0.431 . . . . 0.0 110.006 -176.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 78.0 mt -52.0 -52.97 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 175.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.87 -54.53 9.17 Favored Glycine 0 CA--C 1.525 0.718 0 C-N-CA 125.164 1.364 . . . . 0.0 111.743 177.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 36.6 mt -59.35 -49.9 76.03 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 117.548 0.674 . . . . 0.0 110.742 178.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.9 mt -57.43 -55.51 33.82 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 123.302 0.641 . . . . 0.0 111.465 -178.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.5 pt -66.72 -33.49 63.8 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.362 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.11 -60.36 9.06 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 175.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.8 tt -63.2 -34.55 67.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 118.074 0.937 . . . . 0.0 110.518 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -56.15 -50.55 70.82 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.679 -0.638 . . . . 0.0 111.37 173.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -60.27 -35.71 76.16 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 124.286 1.034 . . . . 0.0 109.495 176.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -60.68 -55.3 34.87 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.467 0.576 . . . . 0.0 109.55 176.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -54.8 -57.15 12.72 Favored 'General case' 0 C--N 1.34 0.166 0 CA-C-O 121.023 0.44 . . . . 0.0 110.27 177.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.6 t -51.49 -37.26 48.2 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.237 0.615 . . . . 0.0 111.062 178.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.15 -34.85 53.61 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 124.716 1.151 . . . . 0.0 112.71 175.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -74.63 61.36 0.96 Allowed 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.613 1.206 . . . . 0.0 110.599 178.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 54.74 34.16 21.14 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.231 1.413 . . . . 0.0 112.546 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.99 -42.32 5.36 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 108.463 -1.855 . . . . 0.0 108.463 168.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.2 t70 70.11 -64.95 0.34 Allowed 'General case' 0 C--N 1.34 0.187 0 C-N-CA 127.093 2.157 . . . . 0.0 111.981 173.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -73.18 154.41 40.3 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 174.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -77.71 65.09 3.12 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 122.099 0.952 . . . . 0.0 110.106 -177.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 58.5 p -138.05 159.46 41.97 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 105.978 -1.86 . . . . 0.0 105.978 172.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.0 mt -94.47 122.82 37.44 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 106.364 -1.717 . . . . 0.0 106.364 169.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.6 t -93.75 173.17 7.81 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.814 0.845 . . . . 0.0 109.806 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.6 mttp -37.65 -58.75 0.86 Allowed 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 126.988 2.115 . . . . 0.0 111.277 -177.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -59.65 -38.97 82.87 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.955 0.902 . . . . 0.0 112.085 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -69.83 -43.31 72.24 Favored 'General case' 0 N--CA 1.455 -0.195 0 O-C-N 121.467 -0.77 . . . . 0.0 109.932 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 54.3 tp -57.96 -46.97 84.28 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 173.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -54.75 -51.86 64.35 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.543 0.337 . . . . 0.0 110.361 175.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -53.0 -50.86 63.34 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.273 0.488 . . . . 0.0 110.556 177.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.1 tp -55.28 -55.51 30.62 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 122.251 -0.281 . . . . 0.0 110.296 178.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 71.4 mt -52.8 -47.18 51.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 C-N-CA 123.749 0.82 . . . . 0.0 110.297 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -58.26 -49.35 77.43 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.576 1.15 . . . . 0.0 110.4 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -64.97 -44.67 88.59 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 122.534 0.334 . . . . 0.0 111.323 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -56.81 -33.9 67.16 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 117.908 0.322 . . . . 0.0 110.767 172.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.9 tp 61.99 48.93 4.88 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 124.932 1.293 . . . . 0.0 109.839 173.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.7 t -72.59 71.13 0.96 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.606 0.762 . . . . 0.0 110.447 178.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.8 tt -53.29 147.29 2.33 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 168.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -57.13 66.6 0.01 OUTLIER Glycine 0 CA--C 1.533 1.209 0 C-N-CA 126.897 2.189 . . . . 0.0 115.793 -169.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.8 m -84.57 63.77 8.08 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 126.984 2.113 . . . . 0.0 107.444 179.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? 4.15 -83.44 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 129.595 3.158 . . . . 0.0 114.919 -176.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.57 -50.05 72.84 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.727 0.411 . . . . 0.0 110.188 -173.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -57.1 -44.95 83.68 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 177.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.51 -35.97 82.69 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 119.749 -0.78 . . . . 0.0 111.91 177.111 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.63 -42.95 79.72 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 119.38 0.991 . . . . 0.0 109.462 171.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -62.35 -36.1 81.17 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 118.692 -0.671 . . . . 0.0 111.809 171.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 41.4 mm -62.11 -43.46 97.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 CA-C-N 119.994 1.27 . . . . 0.0 110.282 173.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 79.8 t -60.66 -45.52 97.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 O-C-N 121.476 -0.765 . . . . 0.0 109.929 176.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -55.75 -49.02 74.23 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.92 -0.487 . . . . 0.0 110.248 175.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.4 tp -57.51 -51.61 68.76 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.378 0.671 . . . . 0.0 110.176 177.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 27.4 ttt -49.91 -53.74 24.11 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.78 0.832 . . . . 0.0 109.652 177.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -58.39 -50.45 73.64 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 122.64 0.376 . . . . 0.0 111.405 177.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -53.63 -42.15 67.48 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.882 0.873 . . . . 0.0 111.753 -178.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.3 mt -77.25 -64.06 1.23 Allowed 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.296 0.569 . . . . 0.0 110.039 176.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -78.27 73.28 4.83 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.334 1.054 . . . . 0.0 109.317 178.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 84.1 mtm-85 -73.34 69.16 1.12 Allowed 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 174.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 56.58 40.34 29.44 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.546 1.538 . . . . 0.0 111.113 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -82.17 60.22 4.83 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 174.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.1 t70 56.61 -85.6 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.48 1.512 . . . . 0.0 109.4 -168.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -158.03 32.5 0.25 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.649 1.179 . . . . 0.0 109.158 169.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -106.94 170.58 7.86 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 125.482 1.513 . . . . 0.0 107.465 -178.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 81.1 t -126.06 131.28 71.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 106.358 -1.719 . . . . 0.0 106.358 169.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -93.16 152.13 19.42 Favored 'General case' 0 CA--C 1.53 0.201 0 O-C-N 121.641 -0.662 . . . . 0.0 109.586 -174.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -45.6 -43.09 11.95 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 174.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.08 -47.95 44.63 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.81 0.814 . . . . 0.0 110.195 173.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -70.95 -34.65 71.67 Favored 'General case' 0 N--CA 1.447 -0.59 0 O-C-N 121.804 -0.56 . . . . 0.0 110.819 -177.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -58.98 -48.98 79.63 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 118.897 0.771 . . . . 0.0 110.686 170.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 40.3 mm -55.72 -53.86 32.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 O-C-N 121.881 -0.512 . . . . 0.0 110.123 174.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 21.1 m -57.27 -38.32 73.72 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 121.942 -0.474 . . . . 0.0 110.403 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -63.55 -42.42 98.39 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 125.175 1.39 . . . . 0.0 110.526 177.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.7 tt -53.9 -50.04 67.24 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 172.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.94 -57.14 9.02 Favored Glycine 0 CA--C 1.527 0.787 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.753 172.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.35 -48.97 70.83 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.356 1.063 . . . . 0.0 111.773 -178.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 80.5 mt -54.25 -58.81 5.97 Favored 'General case' 0 CA--C 1.528 0.12 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 177.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.65 -43.41 76.24 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 27.5 ttp -62.36 -14.16 36.93 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 125.503 1.521 . . . . 0.0 113.093 -173.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.7 tp -58.84 -35.68 57.39 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-N 119.101 0.864 . . . . 0.0 109.787 169.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 64.9 -50.87 0.33 Allowed 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 128.349 2.66 . . . . 0.0 115.042 176.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -44.84 119.88 2.12 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 119.288 0.949 . . . . 0.0 111.407 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 67.61 -63.49 0.3 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.965 1.706 . . . . 0.0 111.752 -171.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.67 -49.92 3.05 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 125.733 1.613 . . . . 0.0 112.859 -175.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 38.1 tp -54.55 -29.36 50.7 Favored 'General case' 0 C--O 1.225 -0.206 0 C-N-CA 123.885 0.874 . . . . 0.0 112.326 -175.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -53.31 -41.91 66.15 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.872 0.76 . . . . 0.0 110.922 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.207 0 CA-C-O 116.996 -2.002 . . . . 0.0 112.424 179.841 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.3 mmt . . . . . 0 N--CA 1.475 0.783 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.62 50.18 0.8 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.527 0.731 . . . . 0.0 111.342 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.2 159.69 55.27 Favored Pre-proline 0 CA--C 1.537 0.445 0 C-N-CA 123.722 0.809 . . . . 0.0 108.844 171.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -50.56 -49.59 16.18 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 123.469 2.779 . . . . 0.0 112.241 -175.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.448 HD22 ' H ' ' B' ' 5' ' ' LEU . 3.2 mm? -52.16 -53.51 42.16 Favored 'General case' 0 C--O 1.226 -0.18 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 175.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -63.69 -49.35 73.49 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 122.648 0.379 . . . . 0.0 110.852 -172.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -53.14 -48.21 68.1 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.086 0.554 . . . . 0.0 109.518 175.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.18 -57.17 6.46 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 120.827 0.346 . . . . 0.0 110.61 -172.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 91.6 mt -53.27 -50.41 47.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 124.231 1.012 . . . . 0.0 108.521 177.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.75 -57.75 10.33 Favored Glycine 0 CA--C 1.524 0.644 0 C-N-CA 124.4 1.0 . . . . 0.0 111.473 178.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 71.7 mt -54.9 -55.26 32.45 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 117.314 0.557 . . . . 0.0 110.391 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 44.5 mt -55.78 -57.87 10.21 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 122.445 0.298 . . . . 0.0 111.028 -176.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.431 HD12 ' HA ' ' B' ' 13' ' ' ILE . 8.6 tp -66.11 -40.87 88.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 O-C-N 122.236 -0.29 . . . . 0.0 110.381 -174.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.07 -59.15 11.15 Favored Glycine 0 C--N 1.337 0.613 0 N-CA-C 110.281 -1.127 . . . . 0.0 110.281 175.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 88.1 mt -53.38 -48.8 56.22 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 O-C-N 122.197 -0.59 . . . . 0.0 109.439 178.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -56.68 -46.2 81.31 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -58.89 -47.58 84.44 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.113 0.565 . . . . 0.0 110.156 175.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 56.7 mttm -65.76 -45.45 82.49 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.061 0.458 . . . . 0.0 109.913 -171.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -80.59 -82.44 0.12 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.513 177.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.46 -39.78 81.3 Favored 'General case' 0 N--CA 1.449 -0.483 0 O-C-N 120.875 -1.141 . . . . 0.0 111.484 -169.062 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.92 -62.88 5.87 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 178.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.21 -42.44 99.29 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 117.455 0.628 . . . . 0.0 111.607 -177.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -86.05 -51.45 6.32 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.218 0.463 . . . . 0.0 112.035 -170.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.2 -36.78 9.57 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 124.167 0.889 . . . . 0.0 111.838 -175.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 7.9 t70 60.48 -157.69 0.33 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.678 1.191 . . . . 0.0 109.384 -171.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? 39.12 32.76 0.07 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 127.033 2.133 . . . . 0.0 113.852 -176.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 44.3 m80 39.98 47.64 1.97 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.087 1.355 . . . . 0.0 112.29 -170.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 5.8 t -144.05 160.37 41.0 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 122.739 1.257 . . . . 0.0 111.993 -171.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 9.2 mp -101.71 165.41 11.23 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 127.686 2.394 . . . . 0.0 105.044 165.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 79.3 p -130.12 170.03 14.57 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 126.816 2.046 . . . . 0.0 106.093 169.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 33.6 tttp -54.42 -39.87 67.76 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 171.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -60.11 -58.96 6.29 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.847 0.859 . . . . 0.0 110.59 177.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -56.05 -43.88 78.33 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 118.196 0.453 . . . . 0.0 110.584 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 57.4 tp -59.24 -52.35 66.03 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.27 0.628 . . . . 0.0 109.904 -179.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -52.56 -53.97 39.2 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 124.212 1.005 . . . . 0.0 110.042 176.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -54.51 -53.39 55.06 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 122.845 0.458 . . . . 0.0 110.589 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 55.5 tp -54.97 -56.94 14.06 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 97.7 mt -59.19 -48.32 87.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -174.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.42 -43.75 79.72 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 118.363 0.529 . . . . 0.0 110.628 178.138 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -62.78 -46.56 87.43 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 122.544 0.338 . . . . 0.0 110.757 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -62.83 -38.35 90.39 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 122.33 -0.231 . . . . 0.0 111.216 175.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 32.4 tp -117.9 68.81 0.77 Allowed 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 125.39 1.476 . . . . 0.0 109.531 -168.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 13.5 p -66.89 -62.4 1.46 Allowed 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 174.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 19.8 tt -61.65 158.68 2.72 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 C-N-CA 123.57 0.748 . . . . 0.0 109.237 169.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.04 -44.06 2.95 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 121.067 -1.02 . . . . 0.0 112.912 174.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 50.8 p -21.01 -65.0 0.03 OUTLIER 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 128.144 2.577 . . . . 0.0 113.447 178.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -40.41 -43.66 1.84 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.429 1.492 . . . . 0.0 112.92 -178.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -90.69 -56.34 3.22 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.636 0.774 . . . . 0.0 109.194 175.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -53.99 -26.77 27.72 Favored 'General case' 0 C--O 1.225 -0.202 0 C-N-CA 124.153 0.981 . . . . 0.0 113.127 -171.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -59.74 -24.32 63.93 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 119.67 1.123 . . . . 0.0 112.261 178.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.19 -36.41 65.87 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 118.824 0.738 . . . . 0.0 110.657 169.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -80.27 -47.29 14.79 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.926 1.29 . . . . 0.0 109.54 172.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 18.7 mm -62.96 -37.8 80.26 Favored 'Isoleucine or valine' 0 C--N 1.343 0.293 0 C-N-CA 120.002 -0.679 . . . . 0.0 110.937 -170.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.1 p -56.78 -43.98 80.82 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 119.146 0.885 . . . . 0.0 110.743 176.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -63.1 -49.22 75.32 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 176.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 51.3 tp -54.49 -50.32 68.08 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.203 0.456 . . . . 0.0 110.878 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 70.0 mtm -57.2 -49.25 76.59 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.213 0.605 . . . . 0.0 110.478 176.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -56.77 -45.52 82.04 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.422 0.555 . . . . 0.0 111.44 178.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -61.24 -47.87 84.07 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.564 0.746 . . . . 0.0 110.227 -178.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 56.2 mt -69.31 -61.01 1.96 Allowed 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 120.755 0.312 . . . . 0.0 110.347 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -78.19 56.69 1.71 Allowed 'General case' 0 C--O 1.233 0.197 0 C-N-CA 123.919 0.888 . . . . 0.0 109.921 176.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.08 80.65 1.73 Allowed 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 106.907 -1.516 . . . . 0.0 106.907 175.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 19.2 m-20 84.96 -35.05 0.05 Allowed 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 126.775 2.03 . . . . 0.0 110.78 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -72.9 52.05 0.3 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.642 1.177 . . . . 0.0 112.516 -178.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -49.98 -37.75 33.82 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.877 1.271 . . . . 0.0 113.278 -171.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -103.3 -5.8 22.66 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.578 0.751 . . . . 0.0 112.043 -177.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -132.83 67.86 1.52 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.305 0.957 . . . . 0.0 113.448 -167.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 78.5 t -98.17 97.43 6.11 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 N-CA-C 103.522 -2.769 . . . . 0.0 103.522 166.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -87.22 158.62 19.07 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-O 121.209 0.528 . . . . 0.0 112.131 -164.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -39.87 -49.2 2.39 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.208 1.403 . . . . 0.0 113.446 176.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 27.5 mm100 -64.85 -31.0 72.03 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 120.84 -1.162 . . . . 0.0 111.836 178.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -70.28 -37.94 74.95 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.23 -0.919 . . . . 0.0 109.84 172.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -59.58 -46.14 89.81 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.808 0.731 . . . . 0.0 110.095 172.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 16.6 mm -55.81 -50.67 66.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 O-C-N 121.717 -0.614 . . . . 0.0 110.339 173.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 28.8 m -56.46 -40.8 75.44 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.602 -0.686 . . . . 0.0 110.234 177.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -63.11 -38.52 91.49 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.062 0.545 . . . . 0.0 111.313 175.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 tt -55.21 -51.42 66.62 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 170.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.15 -53.07 16.09 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 123.398 0.523 . . . . 0.0 111.969 174.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.51 -47.77 84.23 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 117.64 0.72 . . . . 0.0 111.566 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 35.0 tp -59.42 -45.85 90.38 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.135 0.974 . . . . 0.0 109.918 -178.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.35 -52.55 65.13 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 171.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 17.1 tmm? -50.89 -48.72 60.32 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 123.85 0.86 . . . . 0.0 111.32 -177.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 44.7 pt -65.32 -19.44 25.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 118.952 0.796 . . . . 0.0 112.963 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 12.2 m-30 -70.76 -13.62 62.12 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 119.566 1.076 . . . . 0.0 111.235 170.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 38.4 t30 34.64 -73.89 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 130.198 3.399 . . . . 0.0 116.227 168.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.418 ' CD ' ' H ' ' B' ' 86' ' ' GLU . 23.7 mp0 -52.09 -41.91 62.79 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.755 0.822 . . . . 0.0 109.638 176.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.9 -31.59 50.47 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.469 0.708 . . . . 0.0 112.219 176.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 14.5 mt -98.24 16.72 20.54 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.211 1.004 . . . . 0.0 111.143 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt 54.85 39.79 31.64 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.76 0.824 . . . . 0.0 111.22 -171.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.144 0 CA-C-O 117.357 -1.802 . . . . 0.0 110.184 -177.557 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.8 mtp . . . . . 0 N--CA 1.473 0.712 0 CA-C-O 120.615 0.245 . . . . 0.0 110.608 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.32 -35.25 79.76 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.207 0.603 . . . . 0.0 111.906 -176.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -170.86 165.84 4.82 Favored Pre-proline 0 CA--C 1.534 0.345 0 C-N-CA 125.762 1.625 . . . . 0.0 107.608 -177.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_exo -46.6 -50.25 10.78 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 123.813 3.009 . . . . 0.0 114.162 -174.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.9 tp -59.42 -42.93 92.98 Favored 'General case' 0 CA--C 1.528 0.116 0 O-C-N 121.683 -0.636 . . . . 0.0 110.714 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -64.86 -41.04 96.01 Favored 'General case' 0 N--CA 1.455 -0.201 0 O-C-N 121.918 -0.489 . . . . 0.0 110.679 178.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -58.11 -44.54 87.75 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 122.244 -0.285 . . . . 0.0 110.311 172.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.13 -51.32 66.98 Favored 'General case' 0 N--CA 1.457 -0.099 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -177.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 86.5 mt -51.72 -51.23 28.31 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.205 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 173.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.65 -52.8 19.1 Favored Glycine 0 CA--C 1.529 0.964 0 C-N-CA 124.332 0.968 . . . . 0.0 111.905 176.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -57.18 -55.81 29.86 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.7 mp -51.8 -60.63 2.95 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.914 0.886 . . . . 0.0 111.442 -178.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 pp -58.96 -43.67 89.26 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.141 0 CA-C-N 118.177 0.444 . . . . 0.0 110.022 -177.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.66 -60.93 8.1 Favored Glycine 0 C--N 1.338 0.646 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 -179.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 16.1 tt -62.96 -41.31 92.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.229 -177.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -62.19 -41.87 98.76 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 118.594 0.633 . . . . 0.0 111.681 -178.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -59.0 -44.1 91.61 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 122.961 0.504 . . . . 0.0 110.625 173.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -65.88 -62.58 1.42 Allowed 'General case' 0 CA--C 1.528 0.129 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 -178.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -51.85 -81.43 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 127.273 2.229 . . . . 0.0 110.463 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.86 70.08 8.69 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.175 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 178.36 -62.17 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.429 0 N-CA-C 111.415 -0.674 . . . . 0.0 111.415 174.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.61 -39.52 14.02 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -114.64 31.57 6.55 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.632 1.173 . . . . 0.0 110.657 -173.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.46 175.91 37.14 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 109.188 -1.565 . . . . 0.0 109.188 -171.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -63.75 151.0 43.28 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.584 0.753 . . . . 0.0 110.997 -172.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.2 94.43 0.15 Allowed 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 125.329 1.451 . . . . 0.0 111.654 -168.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 59.04 35.68 24.04 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 126.013 1.725 . . . . 0.0 111.68 170.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.4 t -145.15 141.61 28.9 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 177.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 tt -111.13 129.81 55.82 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 125.876 1.671 . . . . 0.0 107.753 -173.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.6 t -145.27 174.7 10.87 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 126.792 2.037 . . . . 0.0 108.593 -178.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.46 -33.43 9.34 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.973 0.909 . . . . 0.0 112.386 178.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -55.72 -55.39 32.87 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.055 0.942 . . . . 0.0 110.129 173.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.2 mp0 -65.95 -39.72 90.71 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.291 0.637 . . . . 0.0 109.479 -177.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.97 -55.56 31.29 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 174.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -50.97 -54.9 20.33 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.612 1.165 . . . . 0.0 109.81 178.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -57.08 -43.2 81.92 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 117.902 0.319 . . . . 0.0 111.656 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.4 tp -59.46 -54.98 40.38 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 118.323 0.511 . . . . 0.0 110.773 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 36.6 pt -64.66 -39.39 85.46 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.235 0 C-N-CA 120.029 -0.668 . . . . 0.0 110.442 -178.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -54.76 -49.05 71.8 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 121.589 -0.694 . . . . 0.0 110.355 175.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -66.53 -54.58 22.16 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.092 0.557 . . . . 0.0 111.306 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -92.0 7.56 41.65 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -169.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 42.3 tp 69.1 -53.15 0.58 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.956 1.702 . . . . 0.0 111.233 -169.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.6 t -156.13 148.04 23.11 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 125.753 1.621 . . . . 0.0 106.625 176.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 tp -77.98 54.44 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 170.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 65.21 -80.53 0.07 OUTLIER Glycine 0 CA--C 1.529 0.941 0 N-CA-C 108.446 -1.862 . . . . 0.0 108.446 -167.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.9 m 74.03 -46.72 0.63 Allowed 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 128.202 2.601 . . . . 0.0 113.542 169.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.9 mtmm 64.26 -72.78 0.06 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 126.239 1.816 . . . . 0.0 109.702 -170.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 67.3 mt -80.8 61.8 4.58 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 176.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -36.92 -65.92 0.26 Allowed 'General case' 0 C--O 1.226 -0.142 0 C-N-CA 125.707 1.603 . . . . 0.0 113.4 -169.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -67.38 -43.24 81.85 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -172.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -49.93 -46.0 51.67 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 173.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -64.15 -43.56 94.82 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 117.031 -1.461 . . . . 0.0 112.033 174.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.6 pt -62.68 -45.39 98.95 Favored 'Isoleucine or valine' 0 C--N 1.346 0.428 0 CA-C-N 121.935 2.152 . . . . 0.0 110.569 -177.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.9 p -66.62 -42.82 90.4 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.623 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 65.8 tttp -57.97 -49.17 77.71 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 118.318 0.508 . . . . 0.0 110.461 176.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.1 mt -63.26 -48.07 79.73 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 122.777 0.431 . . . . 0.0 109.92 -178.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -51.31 -50.35 59.54 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.545 0.611 . . . . 0.0 110.127 173.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -59.66 -51.02 71.58 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 120.592 0.234 . . . . 0.0 111.053 -178.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -55.94 -50.26 71.23 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.666 0.787 . . . . 0.0 111.587 178.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 51.0 mt -79.91 -47.75 14.54 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.298 0.639 . . . . 0.0 111.995 -169.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -118.18 -31.52 4.98 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 124.207 1.003 . . . . 0.0 112.705 -169.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.42 -62.83 0.43 Allowed 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 124.147 0.979 . . . . 0.0 111.353 175.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -134.96 -68.13 0.54 Allowed 'General case' 0 N--CA 1.457 -0.099 0 C-N-CA 123.888 0.875 . . . . 0.0 110.398 -177.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -151.5 160.6 43.63 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 32.77 56.22 0.42 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 127.252 2.221 . . . . 0.0 115.679 169.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -135.95 147.16 47.95 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 168.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -142.5 150.13 40.08 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 105.941 -1.874 . . . . 0.0 105.941 -178.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 6.0 m -110.11 147.45 14.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 176.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -90.63 166.63 13.07 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.239 -0.913 . . . . 0.0 109.6 -169.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -37.94 -49.45 1.24 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.508 1.123 . . . . 0.0 113.442 173.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -58.68 -37.23 75.59 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.535 1.061 . . . . 0.0 111.242 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -73.97 -34.03 64.08 Favored 'General case' 0 N--CA 1.452 -0.36 0 O-C-N 121.338 -0.852 . . . . 0.0 111.165 176.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -52.66 -53.43 47.31 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 119.29 0.95 . . . . 0.0 109.502 171.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -51.28 74.48 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.289 0 C-N-CA 119.289 -0.964 . . . . 0.0 110.19 175.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.9 m -49.26 -44.63 43.94 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.155 0.889 . . . . 0.0 111.465 -179.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -61.5 -47.49 85.38 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.473 1.109 . . . . 0.0 110.519 176.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.3 tt -48.2 -52.35 21.3 Favored 'General case' 0 C--N 1.342 0.268 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 172.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.67 -52.41 45.86 Favored Glycine 0 C--O 1.225 -0.463 0 CA-C-O 119.367 -0.685 . . . . 0.0 111.72 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.34 -54.71 43.73 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 118.395 1.098 . . . . 0.0 110.821 178.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -54.11 -42.52 69.53 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 125.916 1.686 . . . . 0.0 110.791 -177.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.95 -47.44 45.45 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.848 0.859 . . . . 0.0 111.223 178.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 27.5 ttt -67.44 -41.48 84.69 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 123.632 0.773 . . . . 0.0 111.938 -169.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 18.4 tt -39.42 -42.96 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 C-N-CA 124.797 1.239 . . . . 0.0 114.284 -169.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -57.71 -41.91 82.69 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.893 -0.505 . . . . 0.0 111.805 -179.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 60.18 -69.18 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 127.159 2.184 . . . . 0.0 112.727 -179.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -50.75 -41.88 56.99 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 124.646 1.178 . . . . 0.0 110.934 179.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.15 -31.07 68.64 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 178.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 61.7 mt -75.03 -44.28 48.79 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 177.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -65.41 -44.96 85.8 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 122.485 0.314 . . . . 0.0 110.695 -178.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.207 0 CA-C-O 116.579 -2.234 . . . . 0.0 109.286 175.412 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 49.4 ttp . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 68.39 -65.12 0.28 Allowed 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 126.322 1.849 . . . . 0.0 112.013 -178.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 19.9 m 40.76 60.8 7.41 Favored Pre-proline 0 CA--C 1.537 0.48 0 C-N-CA 125.123 1.369 . . . . 0.0 113.586 178.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -54.77 -40.22 85.88 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 123.104 2.536 . . . . 0.0 111.782 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -57.45 -37.81 73.45 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.572 -0.705 . . . . 0.0 112.156 173.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -68.87 -42.45 77.02 Favored 'General case' 0 N--CA 1.457 -0.088 0 O-C-N 121.386 -0.821 . . . . 0.0 110.037 177.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -54.41 -44.53 72.43 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 171.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.14 -43.98 96.84 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.036 0.535 . . . . 0.0 111.194 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 84.9 mt -54.51 -48.14 70.38 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 171.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.05 -55.43 11.87 Favored Glycine 0 CA--C 1.529 0.939 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 173.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 96.0 mt -56.9 -46.73 81.72 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 117.56 0.68 . . . . 0.0 111.061 177.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 34.8 tp -59.08 -47.52 84.94 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.238 0.615 . . . . 0.0 110.624 -178.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 92.3 mt -58.06 -48.68 83.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 173.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -44.45 -61.56 3.19 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 124.638 1.114 . . . . 0.0 111.029 175.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 68.6 mt -54.67 -62.32 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 124.389 1.076 . . . . 0.0 109.416 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -56.73 -54.58 44.58 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -169.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -62.17 -30.83 71.33 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-O 119.484 -0.293 . . . . 0.0 110.728 -175.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -62.48 -50.63 70.65 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.409 0.55 . . . . 0.0 109.793 -178.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -70.17 -58.24 4.02 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 177.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 88.3 p -61.42 -23.15 65.63 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -174.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.19 -31.19 33.52 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 124.79 1.186 . . . . 0.0 112.493 171.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -76.11 60.71 1.48 Allowed 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.773 1.286 . . . . 0.0 109.784 174.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 161.94 -63.18 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 128.748 2.819 . . . . 0.0 105.407 -169.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.47 -66.44 1.3 Allowed Glycine 0 CA--C 1.527 0.841 0 C-N-CA 124.644 1.116 . . . . 0.0 112.891 169.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -41.63 -56.78 2.49 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.658 1.583 . . . . 0.0 113.301 -169.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 27.5 mtmm -100.05 17.9 19.92 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 118.819 -0.61 . . . . 0.0 111.867 -177.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 20.21 78.05 0.01 OUTLIER 'General case' 0 C--N 1.345 0.393 0 C-N-CA 127.097 2.159 . . . . 0.0 112.9 -168.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 8.5 t -141.33 149.45 41.2 Favored 'General case' 0 N--CA 1.436 -1.143 0 CA-C-N 114.151 -1.386 . . . . 0.0 108.013 -172.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 65.8 mt -92.5 104.7 16.99 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 105.448 -2.056 . . . . 0.0 105.448 169.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.35 170.89 9.42 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 106.851 -1.537 . . . . 0.0 106.851 170.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -41.73 -52.76 3.83 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.186 0.994 . . . . 0.0 113.358 -169.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.37 -55.74 28.08 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 121.063 0.459 . . . . 0.0 110.797 -179.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -60.02 -44.99 94.24 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.992 0.917 . . . . 0.0 110.318 -177.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 8.5 tt -56.81 -56.47 21.17 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.446 1.098 . . . . 0.0 109.686 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -53.57 -50.36 65.74 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.614 0.766 . . . . 0.0 110.141 177.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -53.59 -50.62 65.23 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 122.73 0.412 . . . . 0.0 110.143 178.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.7 tt -55.36 -56.88 15.05 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.107 0.563 . . . . 0.0 110.677 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 36.6 pt -64.52 -30.75 51.09 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 C-N-CA 120.016 -0.674 . . . . 0.0 112.054 -176.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -65.4 -61.89 1.85 Allowed 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 118.513 0.597 . . . . 0.0 110.39 172.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -56.66 -49.03 76.24 Favored 'General case' 0 N--CA 1.46 0.065 0 C-N-CA 123.28 0.632 . . . . 0.0 111.258 -176.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -79.61 9.78 4.65 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 178.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 22.2 tp 50.4 64.82 1.65 Allowed 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 125.846 1.659 . . . . 0.0 112.578 167.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 3.1 t -136.71 57.45 1.77 Allowed 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 169.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 36.8 pt -120.76 160.7 21.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 125.573 1.549 . . . . 0.0 108.994 169.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 56.99 -139.69 45.74 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 -173.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 3.3 m 70.43 -33.83 0.27 Allowed 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 115.815 1.783 . . . . 0.0 115.815 168.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? 67.13 -70.13 0.12 Allowed 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 126.676 1.99 . . . . 0.0 110.867 -175.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 66.8 tp -54.2 133.03 44.4 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 177.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 72.63 -58.76 0.59 Allowed 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 125.356 1.463 . . . . 0.0 110.698 -179.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.21 -32.62 74.16 Favored 'General case' 0 N--CA 1.445 -0.711 0 O-C-N 121.589 -0.695 . . . . 0.0 110.793 -170.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.08 -42.97 69.92 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-N 118.448 0.567 . . . . 0.0 109.964 170.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -64.92 -43.03 94.14 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 118.679 -0.677 . . . . 0.0 109.632 175.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 19.6 mm -56.78 -56.71 12.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 119.329 -0.949 . . . . 0.0 110.432 178.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 70.9 t -56.56 -48.84 79.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 124.209 1.004 . . . . 0.0 110.068 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 24.5 ttpp -56.96 -53.25 60.16 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 117.966 0.348 . . . . 0.0 110.787 179.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 62.8 mt -62.3 -46.2 89.82 Favored 'General case' 0 CA--C 1.531 0.22 0 O-C-N 122.261 -0.275 . . . . 0.0 110.453 -177.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 50.5 mtt -56.35 -52.08 65.91 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 117.815 0.28 . . . . 0.0 110.388 175.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -56.27 -53.55 55.96 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 122.815 0.446 . . . . 0.0 110.846 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -51.64 -50.46 60.28 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 123.3 0.64 . . . . 0.0 110.573 177.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 24.4 tp -61.96 -36.89 82.76 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 122.112 -0.367 . . . . 0.0 111.034 179.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -80.08 18.14 0.89 Allowed 'General case' 0 C--O 1.232 0.132 0 C-N-CA 124.336 1.054 . . . . 0.0 112.977 171.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 78.0 mtm180 69.54 -63.46 0.38 Allowed 'General case' 0 C--N 1.34 0.193 0 C-N-CA 127.499 2.32 . . . . 0.0 110.788 172.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -163.08 69.59 0.23 Allowed 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 125.71 1.604 . . . . 0.0 107.097 175.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 7.3 mptt 50.62 36.08 13.08 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.433 1.093 . . . . 0.0 111.917 -176.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -148.71 57.06 1.04 Allowed 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 118.859 0.754 . . . . 0.0 111.488 -170.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -158.19 -178.07 7.02 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 106.597 -1.631 . . . . 0.0 106.597 169.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -123.47 146.21 48.23 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 103.444 -2.799 . . . . 0.0 103.444 168.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 72.4 t -95.59 113.87 30.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 -175.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -86.54 158.42 19.53 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 120.2 1.364 . . . . 0.0 107.53 -175.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -41.42 -48.02 3.72 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.761 1.022 . . . . 0.0 113.761 -176.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -66.59 -33.45 75.7 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.035 -1.04 . . . . 0.0 111.237 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -68.39 -41.27 80.74 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 120.874 -1.141 . . . . 0.0 110.273 174.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -57.8 -45.34 86.23 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 124.018 0.927 . . . . 0.0 109.944 174.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 5.7 mm -60.44 -50.26 81.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 123.0 0.52 . . . . 0.0 110.274 175.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 28.6 m -56.78 -40.73 76.4 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.766 -0.584 . . . . 0.0 110.046 176.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -59.64 -42.99 94.02 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 124.809 1.244 . . . . 0.0 110.772 174.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 2.9 tt -56.15 -51.9 66.28 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 174.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.16 -50.68 33.18 Favored Glycine 0 C--N 1.336 0.551 0 C-N-CA 123.411 0.529 . . . . 0.0 112.904 175.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.66 -53.39 55.28 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.48 0.712 . . . . 0.0 109.548 -177.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 56.7 tp -53.35 -51.78 61.33 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 124.964 1.306 . . . . 0.0 110.263 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.74 -49.5 75.04 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.083 0.553 . . . . 0.0 110.762 176.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 49.8 ttp -59.69 -35.05 73.71 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 122.976 0.511 . . . . 0.0 112.03 177.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 1.4 mp -72.09 -43.91 66.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 C-N-CA 124.76 1.224 . . . . 0.0 110.251 178.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -53.52 -45.85 69.92 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 169.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 68.83 -71.37 0.12 Allowed 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.834 1.654 . . . . 0.0 113.124 168.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -54.67 -36.84 65.03 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.733 0.813 . . . . 0.0 110.575 -176.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.85 -46.21 51.13 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.547 1.139 . . . . 0.0 111.517 173.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -82.78 -53.07 6.18 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.671 0.788 . . . . 0.0 109.162 -176.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -58.85 -43.14 90.72 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.454 0.702 . . . . 0.0 111.488 -175.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 117.177 -1.902 . . . . 0.0 111.668 -176.428 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.3 ttm . . . . . 0 N--CA 1.474 0.745 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -27.34 109.55 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 127.162 2.185 . . . . 0.0 113.722 -174.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.8 p -173.45 162.57 3.34 Favored Pre-proline 0 N--CA 1.452 -0.345 0 C-N-CA 125.241 1.417 . . . . 0.0 107.214 -177.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -51.07 -44.09 44.4 Favored 'Trans proline' 0 N--CA 1.456 -0.715 0 C-N-CA 122.695 2.264 . . . . 0.0 111.334 169.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 89.0 mt -59.32 -53.91 52.79 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.688 0.795 . . . . 0.0 110.393 177.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -56.03 -43.5 77.88 Favored 'General case' 0 C--O 1.225 -0.199 0 CA-C-N 118.349 0.522 . . . . 0.0 111.287 177.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.76 -43.15 76.44 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 122.754 0.422 . . . . 0.0 110.816 172.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.14 -43.89 81.2 Favored 'General case' 0 CA--C 1.528 0.121 0 O-C-N 121.831 -0.543 . . . . 0.0 109.895 -177.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.0 mt -56.72 -46.81 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 172.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.14 -51.2 31.38 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 124.158 0.885 . . . . 0.0 111.46 174.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.3 tt -57.31 -56.07 26.6 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.414 0.686 . . . . 0.0 110.171 177.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.8 mt -53.87 -50.18 66.86 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 123.658 0.783 . . . . 0.0 111.194 -178.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.1 mm -53.65 -54.2 20.71 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.398 0 C-N-CA 124.397 1.079 . . . . 0.0 108.767 173.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.12 -57.28 9.09 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 123.872 0.749 . . . . 0.0 111.533 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.5 mm -57.11 -47.97 82.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-N 116.975 0.387 . . . . 0.0 110.458 -178.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -54.68 -50.33 68.49 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 122.404 1.097 . . . . 0.0 110.733 176.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -69.02 -16.44 63.71 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 124.848 1.259 . . . . 0.0 111.925 -170.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -48.13 -48.41 34.11 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 119.292 0.951 . . . . 0.0 109.283 169.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -78.61 -56.85 4.1 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.464 -175.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.6 m -57.14 -25.41 58.84 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -178.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.77 -46.96 93.16 Favored Glycine 0 CA--C 1.525 0.699 0 O-C-N 121.579 -0.701 . . . . 0.0 111.514 173.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -71.42 -50.7 29.25 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 175.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -83.45 64.09 7.67 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.07 53.3 3.01 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 123.609 0.623 . . . . 0.0 113.257 -172.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -89.57 -43.5 10.74 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 117.82 0.81 . . . . 0.0 109.679 171.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -168.74 160.89 10.87 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 105.895 -1.891 . . . . 0.0 105.895 -173.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 66.5 t-80 -71.36 69.12 0.55 Allowed 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 170.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.6 t -138.53 165.01 27.94 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 126.412 1.885 . . . . 0.0 106.898 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 75.5 mt -101.61 171.45 7.55 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 125.126 1.37 . . . . 0.0 107.398 167.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.7 p -146.33 169.95 17.79 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 105.607 -1.997 . . . . 0.0 105.607 169.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -52.63 -39.79 62.1 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.557 0.743 . . . . 0.0 112.134 -174.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -57.23 -52.29 65.9 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 121.187 0.518 . . . . 0.0 109.92 175.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -62.58 -41.03 98.69 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 122.999 0.52 . . . . 0.0 110.046 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -54.75 -52.33 62.89 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.27 1.028 . . . . 0.0 109.074 174.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 55.1 tttm -55.76 -48.01 76.0 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.748 0.819 . . . . 0.0 110.702 177.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -58.03 -48.75 79.14 Favored 'General case' 0 CA--C 1.53 0.175 0 O-C-N 121.325 -0.859 . . . . 0.0 110.773 176.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.7 tp -55.54 -54.52 43.01 Favored 'General case' 0 N--CA 1.452 -0.33 0 O-C-N 122.022 -0.424 . . . . 0.0 111.119 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 31.2 pt -60.43 -40.47 84.26 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 C-N-CA 119.673 -0.811 . . . . 0.0 110.744 -179.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -56.34 -44.32 79.91 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 118.593 0.633 . . . . 0.0 110.71 173.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.3 mmtm -63.5 -51.63 64.73 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 119.305 0.957 . . . . 0.0 111.95 177.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -53.71 -42.67 68.29 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.905 0.775 . . . . 0.0 110.231 175.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.1 tp -60.67 -46.57 89.84 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.245 0.618 . . . . 0.0 110.203 177.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 58.3 m -54.95 -47.73 74.1 Favored 'General case' 0 CA--C 1.527 0.08 0 C-N-CA 123.661 0.784 . . . . 0.0 109.651 176.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.0 mm -79.31 53.12 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 CA-C-O 121.315 0.579 . . . . 0.0 109.671 175.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 49.48 17.3 1.18 Allowed Glycine 0 CA--C 1.531 1.085 0 C-N-CA 127.355 2.407 . . . . 0.0 116.645 170.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 t -81.27 -2.04 47.38 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 119.823 1.811 . . . . 0.0 113.111 -169.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -24.03 -58.9 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 127.751 2.421 . . . . 0.0 114.622 -178.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -55.18 -38.67 68.64 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -172.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.98 -25.45 14.57 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-N 117.954 0.343 . . . . 0.0 110.828 175.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.407 ' HA ' ' HB ' ' A' ' 53' ' ' ILE . 31.4 t70 -62.66 -34.07 76.35 Favored 'General case' 0 N--CA 1.454 -0.269 0 O-C-N 121.253 -0.905 . . . . 0.0 111.884 178.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -49.23 -38.12 25.44 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.075 0.55 . . . . 0.0 110.699 168.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -80.04 -41.88 24.86 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 118.879 -0.582 . . . . 0.0 110.301 173.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.407 ' HB ' ' HA ' ' A' ' 50' ' ' ASP . 1.6 mp -61.76 -42.31 93.94 Favored 'Isoleucine or valine' 0 C--N 1.343 0.292 0 C-N-CA 118.668 -1.213 . . . . 0.0 111.145 -175.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.1 p -59.11 -40.46 80.96 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 CA-C-N 118.926 0.784 . . . . 0.0 110.759 176.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -62.4 -48.82 78.02 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.067 -0.396 . . . . 0.0 110.259 177.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.31 -46.94 88.2 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 122.129 -0.357 . . . . 0.0 110.496 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 45.9 mtt -52.58 -56.07 17.86 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 122.843 0.457 . . . . 0.0 110.016 173.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -52.56 -52.68 53.84 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 122.801 0.44 . . . . 0.0 110.905 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -51.67 -48.15 63.53 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.255 1.022 . . . . 0.0 111.557 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 77.6 mt -72.22 -39.18 68.71 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 117.687 0.222 . . . . 0.0 111.558 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -66.75 -50.88 61.33 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 124.767 1.227 . . . . 0.0 110.71 -174.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 64.89 -68.4 0.11 Allowed 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 126.328 1.851 . . . . 0.0 111.997 178.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -156.63 5.63 0.17 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.957 1.303 . . . . 0.0 112.123 -178.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -66.28 -38.13 87.08 Favored 'General case' 0 C--N 1.342 0.263 0 CA-C-N 119.36 0.982 . . . . 0.0 109.902 -178.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 24.7 -64.62 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.363 1 C-N-CA 132.467 4.307 . . . . 0.0 116.026 167.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.426 ' H ' ' CD ' ' A' ' 66' ' ' GLN . 2.0 mp0 -39.04 -47.32 1.49 Allowed 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 125.816 1.647 . . . . 0.0 110.463 170.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -128.28 135.51 49.73 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 125.402 1.481 . . . . 0.0 107.173 170.033 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 59.4 t -120.82 121.8 66.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 103.75 -2.685 . . . . 0.0 103.75 168.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -92.22 151.89 20.12 Favored 'General case' 0 N--CA 1.457 -0.093 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -166.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -50.61 -41.77 55.18 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.286 0.634 . . . . 0.0 111.076 173.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.1 tp60 -56.96 -38.16 72.58 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.377 -0.827 . . . . 0.0 111.655 175.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -64.14 -42.14 96.91 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 177.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -58.8 -45.87 88.89 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 122.161 -0.337 . . . . 0.0 111.286 176.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.83 -47.25 89.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 119.33 -0.948 . . . . 0.0 110.911 179.039 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.8 p -62.16 -37.49 85.44 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 121.762 -0.586 . . . . 0.0 110.58 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -55.23 -53.6 53.96 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.563 1.145 . . . . 0.0 110.607 169.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.5 tp -51.37 -48.08 62.62 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.047 0.539 . . . . 0.0 109.932 175.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.83 -57.11 11.42 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.372 -0.691 . . . . 0.0 111.372 173.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.22 -47.43 72.16 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.175 0.99 . . . . 0.0 110.943 -178.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.4 mp -54.16 -56.77 15.0 Favored 'General case' 0 C--O 1.228 -0.068 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 175.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.01 -40.64 77.03 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 111.503 0.186 . . . . 0.0 111.503 -178.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 47.8 mtt -61.04 -49.44 77.37 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.233 0.613 . . . . 0.0 110.726 175.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 17.7 mm -54.14 -45.55 66.3 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 O-C-N 121.321 -0.862 . . . . 0.0 109.148 174.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -77.84 25.05 0.21 Allowed 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 175.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -51.61 -35.92 43.6 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 119.874 1.215 . . . . 0.0 110.903 171.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -46.07 -48.34 17.02 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.133 0.973 . . . . 0.0 111.854 170.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -78.36 -37.07 45.14 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.656 0.782 . . . . 0.0 110.236 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 53.1 tp -53.94 -48.36 70.31 Favored 'General case' 0 C--O 1.227 -0.129 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 175.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -62.09 -63.29 1.29 Allowed 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 170.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.189 0 CA-C-O 117.192 -1.893 . . . . 0.0 111.342 178.552 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 76.9 mtm . . . . . 0 N--CA 1.475 0.812 0 CA-C-O 120.575 0.226 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.74 -179.55 5.94 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 125.779 1.632 . . . . 0.0 106.702 178.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.63 119.0 9.04 Favored Pre-proline 0 CA--C 1.535 0.367 0 C-N-CA 124.428 1.091 . . . . 0.0 109.599 174.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_exo -43.98 -53.4 4.66 Favored 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 123.52 2.814 . . . . 0.0 113.828 -175.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 48.0 mt -63.26 -40.53 97.66 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.923 -0.485 . . . . 0.0 111.082 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -62.35 -43.05 99.73 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 118.378 0.535 . . . . 0.0 110.423 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.2 -40.68 90.91 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 122.921 0.488 . . . . 0.0 110.369 173.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.06 -49.27 75.2 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.5 mp -51.05 -51.98 19.53 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.33 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 170.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.75 -54.28 11.7 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 124.141 0.877 . . . . 0.0 111.666 178.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 62.6 tp -60.23 -57.0 14.7 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 122.253 -0.557 . . . . 0.0 110.477 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 8.0 tt -58.44 -50.66 72.91 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 122.971 0.508 . . . . 0.0 111.234 -173.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 4.6 tt -64.38 -39.38 85.35 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 C-N-CA 123.799 0.84 . . . . 0.0 109.327 178.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.91 -45.06 92.27 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 123.843 0.735 . . . . 0.0 111.776 174.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 92.6 mt -62.83 -58.11 9.03 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 175.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -58.33 -34.61 70.81 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 122.428 0.291 . . . . 0.0 111.544 -173.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -48.21 -48.51 34.89 Favored 'General case' 0 N--CA 1.457 -0.086 0 C-N-CA 125.479 1.511 . . . . 0.0 111.688 176.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -43.36 -56.78 3.36 Favored 'General case' 0 C--N 1.337 0.06 0 C-N-CA 124.11 0.964 . . . . 0.0 111.529 -168.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -84.63 -80.65 0.2 Allowed 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.078 173.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -52.47 -32.22 38.69 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 126.967 2.107 . . . . 0.0 115.019 -168.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.41 -63.47 1.57 Allowed Glycine 0 C--N 1.334 0.433 0 N-CA-C 110.149 -1.181 . . . . 0.0 110.149 -176.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -56.63 -42.52 78.98 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.383 0.673 . . . . 0.0 110.938 -177.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -74.85 -12.43 60.38 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 178.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.89 -71.91 0.9 Allowed Glycine 0 CA--C 1.526 0.721 0 C-N-CA 124.465 1.031 . . . . 0.0 111.296 177.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 1.6 p30 41.62 -108.08 0.09 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.379 1.872 . . . . 0.0 111.003 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -138.39 37.95 2.27 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 169.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 44.92 61.87 2.33 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 122.895 1.331 . . . . 0.0 111.695 -170.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 3.2 t -144.71 156.69 44.21 Favored 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 127.33 2.252 . . . . 0.0 105.82 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 5.3 mp -92.7 107.35 19.15 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 103.998 -2.593 . . . . 0.0 103.998 166.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 67.0 p -89.98 162.17 15.52 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 -179.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -42.78 -46.17 5.09 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -173.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -62.49 -62.12 1.97 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 122.993 0.517 . . . . 0.0 110.426 -178.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -65.38 -29.36 70.06 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 121.56 -0.712 . . . . 0.0 111.091 -175.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 9.3 tt -62.41 -48.02 81.55 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.413 0.685 . . . . 0.0 109.532 170.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -55.58 -46.3 77.27 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.95 -0.468 . . . . 0.0 110.107 175.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -54.78 -52.46 62.55 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.619 -0.675 . . . . 0.0 110.154 174.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.2 tt -50.56 -61.42 2.2 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 118.859 -0.591 . . . . 0.0 110.22 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 26.4 pt -58.65 -41.22 81.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-N 118.669 0.668 . . . . 0.0 110.749 -174.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -55.93 -54.52 43.76 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.581 0.628 . . . . 0.0 111.22 175.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -60.57 -53.47 57.12 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.652 0.66 . . . . 0.0 110.585 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -53.64 -32.1 50.02 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.73 1.612 . . . . 0.0 111.77 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 58.2 mt -76.05 -62.07 1.72 Allowed 'General case' 0 CA--C 1.532 0.257 0 O-C-N 121.606 -0.684 . . . . 0.0 110.021 170.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 38.2 p -58.68 -26.53 63.94 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 -168.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 10.3 tp -52.45 -33.95 18.31 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-N 119.34 0.973 . . . . 0.0 111.149 171.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.56 23.37 76.64 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 115.023 0.769 . . . . 0.0 115.023 168.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.4 m -63.29 -33.94 76.6 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.565 1.182 . . . . 0.0 110.367 169.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 52.3 mttp 70.69 -68.69 0.2 Allowed 'General case' 0 C--O 1.231 0.109 0 C-N-CA 127.024 2.13 . . . . 0.0 108.925 -176.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 pp -56.44 143.38 35.09 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 171.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 64.12 -54.03 0.25 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.891 1.676 . . . . 0.0 113.347 -170.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -65.82 -41.65 91.58 Favored 'General case' 0 N--CA 1.456 -0.168 0 O-C-N 120.555 -1.341 . . . . 0.0 113.693 -173.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.36 -46.4 66.13 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 173.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -59.23 -44.94 92.31 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 118.389 -0.815 . . . . 0.0 110.422 174.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 21.9 mm -60.07 -55.47 23.9 Favored 'Isoleucine or valine' 0 C--N 1.342 0.282 0 CA-C-N 119.836 1.198 . . . . 0.0 110.047 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 28.0 m -62.9 -41.16 91.62 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.699 -175.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -58.31 -49.77 76.0 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 118.137 0.426 . . . . 0.0 110.136 175.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 22.7 tp -61.25 -48.64 80.51 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 122.843 0.457 . . . . 0.0 110.261 -176.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 58.5 mtt -62.84 -41.61 99.42 Favored 'General case' 0 N--CA 1.453 -0.283 0 O-C-N 122.147 -0.346 . . . . 0.0 110.889 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -59.16 -50.37 74.28 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 118.663 0.665 . . . . 0.0 110.526 174.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -53.07 -45.84 68.31 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.886 0.874 . . . . 0.0 111.295 176.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.0 tt -59.48 -58.38 8.87 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 174.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -56.61 -43.87 80.59 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 125.493 1.517 . . . . 0.0 111.847 -171.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 72.42 -58.5 0.59 Allowed 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 125.959 1.704 . . . . 0.0 111.178 -177.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -78.14 20.46 0.38 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.878 0.871 . . . . 0.0 112.517 -177.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 93.2 mttt 67.68 -59.98 0.4 Allowed 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 126.436 1.894 . . . . 0.0 112.938 -173.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -121.53 136.22 54.97 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 126.385 1.874 . . . . 0.0 107.856 170.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -164.43 174.65 10.76 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 126.787 2.035 . . . . 0.0 105.765 -176.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -92.06 94.09 9.07 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 177.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 78.1 t -89.83 103.06 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 N-CA-C 105.277 -2.12 . . . . 0.0 105.277 -171.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -92.85 149.31 21.35 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 123.523 0.729 . . . . 0.0 110.156 -168.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -54.54 -38.69 66.88 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -173.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -45.14 84.18 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.491 -0.756 . . . . 0.0 109.815 175.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -66.12 -43.24 87.76 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 121.842 -0.536 . . . . 0.0 109.6 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -50.86 -52.47 41.35 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.078 0.551 . . . . 0.0 110.254 174.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 17.1 mm -61.0 -50.62 79.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 123.248 0.619 . . . . 0.0 111.522 178.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 27.1 m -56.6 -45.44 81.41 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 121.426 0.631 . . . . 0.0 109.429 -179.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -61.57 -41.39 97.33 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.43 1.092 . . . . 0.0 110.951 176.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 3.6 tt -54.12 -53.2 56.52 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 174.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -53.56 -54.17 31.67 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 177.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.53 -49.49 74.63 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 117.712 0.756 . . . . 0.0 111.383 -179.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 58.9 tp -58.26 -48.33 80.79 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.272 1.029 . . . . 0.0 109.942 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.84 -38.73 91.92 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.703 0.401 . . . . 0.0 111.336 178.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 16.7 tmm? -59.52 -48.26 82.34 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 121.747 -0.595 . . . . 0.0 109.573 173.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 88.3 mt -56.21 -42.7 74.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-N 118.664 0.665 . . . . 0.0 110.018 173.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -58.67 -7.28 0.92 Allowed 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.067 0.765 . . . . 0.0 113.067 175.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -50.4 -35.69 29.43 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 120.64 1.564 . . . . 0.0 110.122 167.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -57.76 -40.11 78.98 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 122.212 -0.305 . . . . 0.0 111.72 172.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.41 -43.94 68.97 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.038 0.535 . . . . 0.0 110.55 177.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 7.1 mp -54.67 -49.06 71.54 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 174.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.24 -45.66 93.61 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.732 1.213 . . . . 0.0 110.248 178.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.108 0 CA-C-O 117.21 -1.884 . . . . 0.0 111.502 174.74 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.1 ttp . . . . . 0 N--CA 1.474 0.742 0 N-CA-C 110.655 -0.128 . . . . 0.0 110.655 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.95 169.42 15.93 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 174.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.1 m -56.07 138.51 72.71 Favored Pre-proline 0 CA--C 1.535 0.374 0 CA-C-O 118.271 -0.871 . . . . 0.0 109.313 173.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -38.05 -53.32 1.63 Allowed 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 124.593 3.529 . . . . 0.0 115.439 -170.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -57.24 -50.49 72.71 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 117.992 0.36 . . . . 0.0 111.475 -179.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -68.28 -33.2 73.91 Favored 'General case' 0 CA--C 1.517 -0.308 0 O-C-N 121.911 -0.493 . . . . 0.0 110.357 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -65.29 -40.52 93.95 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 117.817 0.28 . . . . 0.0 110.76 177.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.21 -49.19 17.81 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 124.167 0.987 . . . . 0.0 109.931 -176.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.1 mt -52.18 -48.18 43.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 169.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.07 -49.81 54.09 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 124.647 1.118 . . . . 0.0 111.176 176.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 64.7 tp -55.43 -54.08 48.2 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 117.765 0.782 . . . . 0.0 110.48 175.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 tp -52.67 -55.89 19.34 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 121.613 0.721 . . . . 0.0 110.596 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 67.2 mt -53.55 -47.1 60.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 C-N-CA 123.719 0.808 . . . . 0.0 109.353 178.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.56 -56.66 23.43 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 124.237 0.922 . . . . 0.0 111.593 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.4 pt -62.18 -35.49 69.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 O-C-N 121.805 -0.821 . . . . 0.0 111.012 -177.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -62.04 -55.42 29.32 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.304 0.502 . . . . 0.0 109.872 172.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -52.95 -32.26 44.99 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 125.969 1.707 . . . . 0.0 111.675 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -50.77 -46.92 59.69 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.485 0.584 . . . . 0.0 110.484 175.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -80.25 -53.71 6.4 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 123.715 0.806 . . . . 0.0 109.595 175.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.2 m -74.96 61.85 1.08 Allowed 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 124.655 1.182 . . . . 0.0 110.015 175.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -170.45 -58.58 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 107.792 -2.123 . . . . 0.0 107.792 -178.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.4 pttt -68.45 -36.07 78.48 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 117.01 0.405 . . . . 0.0 111.099 174.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -127.32 -60.22 1.2 Allowed 'General case' 0 C--N 1.341 0.215 0 C-N-CA 123.277 0.631 . . . . 0.0 111.189 -177.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.45 147.26 40.31 Favored Glycine 0 CA--C 1.531 1.072 0 N-CA-C 110.07 -1.212 . . . . 0.0 110.07 -175.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -78.46 38.31 0.3 Allowed 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.34 -1.094 . . . . 0.0 113.601 -169.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp 68.15 -49.17 0.54 Allowed 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 126.086 1.755 . . . . 0.0 112.074 -169.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 58.7 m80 -79.75 -18.26 51.54 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 125.499 1.52 . . . . 0.0 112.496 -173.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.4 p -141.13 168.6 19.4 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 119.18 0.9 . . . . 0.0 109.225 178.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.3 tt -131.46 118.76 20.64 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 127.032 2.133 . . . . 0.0 106.486 175.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.8 m -93.74 158.96 15.42 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.354 0.661 . . . . 0.0 111.963 -171.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -44.79 -47.31 10.9 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.402 1.081 . . . . 0.0 112.895 -170.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -51.61 -44.41 62.85 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.197 0.599 . . . . 0.0 111.278 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -64.12 -38.87 92.61 Favored 'General case' 0 N--CA 1.453 -0.3 0 O-C-N 122.028 -0.42 . . . . 0.0 110.71 177.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.5 tp -64.42 -46.54 82.79 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 179.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -55.92 -52.93 62.37 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.154 0.582 . . . . 0.0 109.861 173.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 67.5 tt0 -51.72 -46.05 63.81 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.009 0.524 . . . . 0.0 110.492 176.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.5 tp -56.99 -59.13 5.51 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 118.833 -0.603 . . . . 0.0 110.288 178.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 46.5 pt -58.85 -36.09 59.5 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 119.16 0.891 . . . . 0.0 111.606 -176.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -61.61 -63.01 1.41 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.062 0.545 . . . . 0.0 110.666 174.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -58.48 -41.63 85.72 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.187 0.595 . . . . 0.0 111.375 -177.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -70.76 -14.7 62.53 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.123 0.969 . . . . 0.0 111.371 176.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 43.6 mt 58.4 41.16 23.38 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 125.734 1.613 . . . . 0.0 111.455 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 49.3 p -84.08 50.92 1.94 Allowed 'General case' 0 CA--C 1.53 0.195 0 O-C-N 121.573 -0.704 . . . . 0.0 109.514 178.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.7 pt -81.47 61.07 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 -177.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.82 -52.15 3.19 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -172.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.9 p -19.78 -77.21 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 128.948 2.899 . . . . 0.0 113.103 170.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -81.89 66.37 7.43 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.293 1.037 . . . . 0.0 108.243 -178.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.3 tp -48.39 -44.96 35.29 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.434 1.494 . . . . 0.0 111.019 -172.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -43.08 -64.32 0.65 Allowed 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.932 0.893 . . . . 0.0 111.178 173.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -76.25 -31.85 58.54 Favored 'General case' 0 N--CA 1.45 -0.436 0 O-C-N 121.644 -0.66 . . . . 0.0 110.818 -170.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.02 -49.6 63.04 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 169.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -63.55 -39.69 95.05 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 117.766 -1.111 . . . . 0.0 111.499 175.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 81.6 mt -55.88 -52.55 47.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-N 120.803 1.638 . . . . 0.0 109.571 176.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 76.6 t -59.69 -47.28 91.75 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 O-C-N 122.28 -0.262 . . . . 0.0 110.553 179.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -55.53 -47.91 75.52 Favored 'General case' 0 N--CA 1.455 -0.175 0 O-C-N 122.26 -0.275 . . . . 0.0 110.511 179.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 56.6 mt -61.25 -45.17 95.61 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 122.976 0.51 . . . . 0.0 110.313 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 41.5 ttp -56.79 -50.05 73.48 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.147 0.431 . . . . 0.0 110.683 176.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -57.71 -50.79 72.04 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.156 0.582 . . . . 0.0 110.6 178.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -55.31 -45.24 76.32 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.799 1.24 . . . . 0.0 110.671 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.4 tt -57.78 -58.22 9.33 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 173.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -78.94 58.8 2.47 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -176.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 73.7 mtt85 -68.66 -30.95 69.75 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.317 -0.864 . . . . 0.0 108.842 166.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -52.03 -55.28 21.58 Favored 'General case' 0 C--N 1.34 0.162 0 C-N-CA 124.342 1.057 . . . . 0.0 112.332 -175.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 46.0 mttm -100.46 -55.25 2.65 Favored 'General case' 0 C--O 1.232 0.133 0 C-N-CA 122.773 0.429 . . . . 0.0 109.994 -177.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.8 t70 65.15 -64.05 0.18 Allowed 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 128.053 2.541 . . . . 0.0 112.625 175.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -47.36 -37.24 10.82 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 126.761 2.024 . . . . 0.0 111.514 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -142.93 142.33 31.67 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 169.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 57.0 t -93.57 135.71 27.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 N-CA-C 105.566 -2.013 . . . . 0.0 105.566 175.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -90.99 141.24 29.06 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 -179.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -43.8 -45.94 7.54 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.25 1.02 . . . . 0.0 112.277 178.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -58.61 -39.33 80.13 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.349 -0.845 . . . . 0.0 111.279 177.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -68.05 -42.48 80.47 Favored 'General case' 0 C--O 1.224 -0.283 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 176.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -55.37 -50.99 68.25 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 118.335 0.516 . . . . 0.0 110.033 175.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 24.7 mm -61.04 -52.79 57.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 O-C-N 121.875 -0.516 . . . . 0.0 111.402 177.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.9 m -62.87 -33.62 75.66 Favored 'General case' 0 CA--C 1.533 0.325 0 O-C-N 121.051 -1.03 . . . . 0.0 110.524 -177.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -60.99 -45.86 93.12 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.785 0.834 . . . . 0.0 110.555 171.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.7 tt -51.43 -50.64 59.33 Favored 'General case' 0 C--N 1.342 0.256 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 173.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -46.05 -65.69 1.95 Allowed Glycine 0 CA--C 1.53 1.027 0 C-N-CA 123.695 0.664 . . . . 0.0 112.375 172.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.07 -46.25 71.96 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.545 1.138 . . . . 0.0 112.017 -175.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.9 tp -58.97 -55.82 30.25 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 177.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.63 -37.77 71.19 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 122.904 0.481 . . . . 0.0 112.024 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 80.3 mtp -56.87 -15.25 4.44 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 178.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 31.1 mm -58.16 -31.7 42.56 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 CA-C-N 119.535 1.061 . . . . 0.0 110.219 169.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 51.05 51.99 15.91 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 125.624 1.569 . . . . 0.0 112.03 175.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -41.86 107.67 0.08 Allowed 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.579 1.552 . . . . 0.0 111.485 175.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 56.3 tt0 58.87 40.67 22.45 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.644 0.778 . . . . 0.0 110.553 177.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 51.01 54.04 11.97 Favored 'General case' 0 C--N 1.339 0.151 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -171.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 78.8 mt 45.45 49.6 10.52 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.831 1.252 . . . . 0.0 110.848 -172.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 62.4 pttt 43.27 38.44 1.64 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.663 1.585 . . . . 0.0 113.645 -174.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.144 0 CA-C-O 117.271 -1.849 . . . . 0.0 112.9 173.832 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.474 0.752 0 N-CA-C 110.695 -0.113 . . . . 0.0 110.695 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -169.81 177.14 4.55 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 106.609 -1.626 . . . . 0.0 106.609 -178.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 27.6 m -159.21 152.53 18.72 Favored Pre-proline 0 CA--C 1.532 0.251 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 172.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_exo -46.37 -53.69 5.67 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 123.563 2.842 . . . . 0.0 113.601 -176.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.8 -45.21 82.35 Favored 'General case' 0 CA--C 1.529 0.167 0 O-C-N 122.142 -0.349 . . . . 0.0 111.446 178.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -62.88 -46.99 85.25 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.205 0.602 . . . . 0.0 110.716 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -57.14 -45.1 83.84 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 174.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.81 -54.36 19.68 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 122.216 -0.303 . . . . 0.0 110.708 -172.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 11.9 tt -58.55 -45.82 90.17 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 177.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.51 -53.89 22.99 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 175.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -56.59 -62.95 1.38 Allowed 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 117.218 0.509 . . . . 0.0 110.751 178.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 pp -62.15 -39.44 92.62 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 119.531 1.059 . . . . 0.0 112.043 -170.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 25.7 mt -65.42 -43.86 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-O 118.986 -0.531 . . . . 0.0 109.652 175.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.99 -53.69 40.55 Favored Glycine 0 CA--C 1.53 1.0 0 CA-C-N 119.279 0.945 . . . . 0.0 111.174 176.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 28.6 mm -54.38 -38.33 40.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 124.192 0.997 . . . . 0.0 110.825 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -66.05 -63.31 1.11 Allowed 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.666 0.745 . . . . 0.0 111.587 171.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -63.52 -22.01 66.65 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 124.869 1.268 . . . . 0.0 112.512 -169.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -60.8 -36.98 80.42 Favored 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 119.804 -0.758 . . . . 0.0 109.662 176.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -81.74 -67.63 0.76 Allowed 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 168.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 49.2 m -77.55 58.84 1.82 Allowed 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.821 2.048 . . . . 0.0 111.838 -168.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -177.94 -65.26 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.451 0 N-CA-C 108.207 -1.957 . . . . 0.0 108.207 -172.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -64.84 -38.06 89.71 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 176.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -74.39 67.13 1.41 Allowed 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 118.143 0.429 . . . . 0.0 110.062 174.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.75 48.66 74.82 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 124.715 1.15 . . . . 0.0 113.306 170.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 21.4 t70 71.76 -55.22 0.67 Allowed 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 126.56 1.944 . . . . 0.0 113.172 175.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -3.99 91.43 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 128.15 2.58 . . . . 0.0 113.899 177.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -76.43 50.23 0.64 Allowed 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 121.664 0.745 . . . . 0.0 110.233 174.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 5.3 t -147.78 145.72 28.9 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 126.27 1.828 . . . . 0.0 107.888 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 59.0 mt -93.24 97.3 10.54 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 105.328 -2.101 . . . . 0.0 105.328 168.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.3 m -92.62 171.82 8.76 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 176.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -43.71 -42.45 5.39 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.22 1.008 . . . . 0.0 111.702 178.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -53.91 -59.8 4.16 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.816 0.846 . . . . 0.0 111.439 173.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 30.1 mp0 -58.48 -42.81 88.39 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.695 -0.628 . . . . 0.0 109.816 -178.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 76.7 mt -58.19 -43.42 87.56 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 119.489 -0.291 . . . . 0.0 110.774 175.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -53.86 -55.01 30.65 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 174.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -56.2 -44.74 79.75 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 117.868 0.304 . . . . 0.0 111.785 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 41.0 tp -56.18 -63.89 1.04 Allowed 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 119.487 -0.292 . . . . 0.0 110.494 175.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 2.3 pp -62.31 -37.92 79.84 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-N 118.572 0.624 . . . . 0.0 110.965 -172.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -50.46 -49.98 53.64 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 124.272 1.029 . . . . 0.0 109.995 170.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -69.29 -43.05 74.62 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 117.871 0.305 . . . . 0.0 111.814 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -60.65 -36.38 78.54 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 118.639 0.654 . . . . 0.0 112.09 177.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 77.0 mt 58.07 -99.2 0.09 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.705 1.202 . . . . 0.0 111.156 -172.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.6 m -78.77 55.23 1.67 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.767 1.227 . . . . 0.0 112.485 -168.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 28.1 pt -43.62 -46.24 1.78 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 124.772 1.229 . . . . 0.0 112.102 -178.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -49.73 -36.59 25.99 Favored Glycine 0 CA--C 1.529 0.924 0 C-N-CA 124.827 1.203 . . . . 0.0 113.314 -178.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 99.9 p -70.31 -31.12 68.3 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 117.881 0.841 . . . . 0.0 111.551 -177.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -85.48 49.76 1.82 Allowed 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.768 -0.583 . . . . 0.0 111.337 -168.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 1.9 mm? 24.59 -102.82 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 127.96 2.504 . . . . 0.0 113.113 -178.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.9 mm100 -46.74 -42.38 16.7 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 124.359 1.064 . . . . 0.0 112.003 -177.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -62.11 -25.48 67.75 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 118.59 -0.719 . . . . 0.0 112.5 -175.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.02 -48.31 70.6 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 169.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -66.87 -44.64 80.4 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 118.504 -0.76 . . . . 0.0 110.849 176.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 42.6 mm -60.95 -51.77 69.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-N 119.576 1.08 . . . . 0.0 109.385 -175.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 96.6 t -60.92 -49.01 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 C-N-CA 123.396 0.678 . . . . 0.0 109.478 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -52.78 -54.16 38.0 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 118.846 0.748 . . . . 0.0 110.657 177.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 46.5 mt -57.67 -55.22 37.66 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 122.936 0.494 . . . . 0.0 110.453 -177.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 34.9 ttp -57.9 -46.04 85.53 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 121.154 0.502 . . . . 0.0 110.58 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -56.53 -56.96 14.79 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 123.383 0.673 . . . . 0.0 110.434 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -62.76 -42.3 99.62 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.982 0.81 . . . . 0.0 110.914 -177.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 64.4 tp -51.57 -46.12 63.35 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 123.912 0.885 . . . . 0.0 110.255 177.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -72.22 -62.57 1.39 Allowed 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 121.235 0.541 . . . . 0.0 111.186 176.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 50.9 tpt85 -53.72 -23.33 11.29 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 126.359 1.864 . . . . 0.0 112.54 -172.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -32.18 -45.59 0.11 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.608 1.563 . . . . 0.0 112.266 168.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -144.38 -166.98 2.51 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 168.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -74.89 58.93 0.87 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.986 1.315 . . . . 0.0 110.308 174.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -94.99 178.08 5.68 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-O 122.821 1.296 . . . . 0.0 110.277 -174.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -140.0 143.34 36.41 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 103.798 -2.668 . . . . 0.0 103.798 168.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 46.7 t -93.02 117.61 36.82 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.084 0 N-CA-C 106.408 -1.701 . . . . 0.0 106.408 -178.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -87.79 157.31 19.06 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.045 -1.034 . . . . 0.0 108.283 -170.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -40.4 -51.58 2.82 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 176.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -65.37 -28.37 69.23 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 120.927 -1.108 . . . . 0.0 111.987 179.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -69.68 -38.78 77.17 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 118.83 0.741 . . . . 0.0 110.2 171.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -59.03 -48.79 80.31 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.323 0.965 . . . . 0.0 109.439 174.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 1.4 mp -60.87 -54.04 40.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 O-C-N 121.84 -0.538 . . . . 0.0 111.619 177.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 31.7 p -65.37 -30.0 70.78 Favored 'General case' 0 CA--C 1.533 0.327 0 O-C-N 120.313 -1.492 . . . . 0.0 110.913 -179.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -61.61 -39.66 92.02 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.679 0.672 . . . . 0.0 110.222 169.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 3.6 tt -54.39 -50.52 67.35 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 171.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -46.34 -54.94 8.15 Favored Glycine 0 CA--C 1.531 1.073 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.692 170.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.61 -48.99 73.99 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.294 1.038 . . . . 0.0 111.402 -178.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 94.1 mt -54.54 -45.61 73.45 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 118.508 0.594 . . . . 0.0 111.553 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.92 -47.59 79.95 Favored 'General case' 0 C--O 1.226 -0.163 0 O-C-N 121.879 -0.513 . . . . 0.0 111.336 171.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.62 -40.42 83.28 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 118.806 0.73 . . . . 0.0 112.158 -177.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 12.7 pt -80.57 0.88 3.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-N 118.643 0.656 . . . . 0.0 112.454 174.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 70.47 52.09 0.34 Allowed 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 125.093 1.357 . . . . 0.0 113.277 171.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -50.67 100.93 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.136 0.974 . . . . 0.0 109.226 168.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 46.42 43.53 12.01 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 125.109 1.364 . . . . 0.0 112.034 -171.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 51.86 47.57 24.52 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.393 0.677 . . . . 0.0 111.16 -178.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 10.2 mp 61.68 49.45 4.96 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.437 1.095 . . . . 0.0 109.113 -171.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 26.2 mmmt 71.86 -49.73 0.69 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.498 1.519 . . . . 0.0 113.092 177.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.287 0 CA-C-O 117.254 -1.859 . . . . 0.0 111.123 -178.302 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.7 mmm . . . . . 0 N--CA 1.474 0.727 0 CA-C-O 119.902 -0.094 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.444 ' HB1' ' HB3' ' A' ' 6' ' ' ASP . . . -163.73 167.78 20.57 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.518 0.727 . . . . 0.0 109.987 179.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 p -67.19 161.05 67.23 Favored Pre-proline 0 CA--C 1.532 0.279 0 C-N-CA 124.462 1.105 . . . . 0.0 111.147 178.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -56.8 -38.68 95.23 Favored 'Trans proline' 0 N--CA 1.455 -0.765 0 C-N-CA 122.035 1.823 . . . . 0.0 109.733 168.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.7 tp -55.65 -57.64 11.15 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 123.856 0.863 . . . . 0.0 110.411 173.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.444 ' HB3' ' HB1' ' A' ' 2' ' ' ALA . 10.8 t70 -55.59 -44.13 76.68 Favored 'General case' 0 C--O 1.226 -0.142 0 O-C-N 122.011 -0.431 . . . . 0.0 110.967 178.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.53 -43.12 68.11 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 122.535 0.334 . . . . 0.0 110.914 173.196 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.04 -43.87 86.26 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.308 0.504 . . . . 0.0 110.036 -178.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 83.2 mt -55.83 -53.66 35.22 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 173.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.41 -51.93 35.0 Favored Glycine 0 CA--C 1.528 0.88 0 C-N-CA 124.722 1.153 . . . . 0.0 111.359 178.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -53.39 -58.11 8.27 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.789 0.836 . . . . 0.0 109.089 176.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.1 tp -56.05 -55.28 34.75 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.582 0.353 . . . . 0.0 111.455 -176.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 pp -65.17 -34.74 72.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-O 118.94 -0.552 . . . . 0.0 110.558 -176.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.56 -53.32 47.0 Favored Glycine 0 CA--C 1.529 0.908 0 N-CA-C 110.62 -0.992 . . . . 0.0 110.62 172.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.4 mp -53.55 -47.86 59.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 O-C-N 122.297 -0.531 . . . . 0.0 109.747 174.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -61.56 -51.97 66.37 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.753 0.706 . . . . 0.0 111.1 -177.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -44.1 -51.67 7.8 Favored 'General case' 0 CA--C 1.528 0.096 0 C-N-CA 125.181 1.393 . . . . 0.0 110.075 172.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -66.46 -57.98 6.22 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -174.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -56.84 -40.28 75.77 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.1 0.96 . . . . 0.0 111.232 -173.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 74.5 m -49.78 -23.13 1.67 Allowed 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 114.325 1.231 . . . . 0.0 114.325 173.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -26.5 -53.57 0.07 OUTLIER Glycine 0 CA--C 1.535 1.307 0 C-N-CA 126.751 2.119 . . . . 0.0 116.426 -172.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -59.34 -37.97 79.19 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 117.998 0.899 . . . . 0.0 111.855 -177.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -81.99 -41.62 20.49 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.245 1.018 . . . . 0.0 109.567 173.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.98 -84.45 0.11 Allowed Glycine 0 CA--C 1.525 0.692 0 C-N-CA 125.23 1.395 . . . . 0.0 112.576 169.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -66.41 -67.93 0.41 Allowed 'General case' 0 N--CA 1.457 -0.092 0 C-N-CA 123.484 0.713 . . . . 0.0 110.002 -170.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -80.12 65.24 5.2 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 176.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -52.71 93.77 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 126.745 2.018 . . . . 0.0 112.024 -175.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.9 p -138.51 168.29 20.09 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 126.182 1.793 . . . . 0.0 107.078 -178.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 46.5 tp -93.19 83.04 4.57 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 105.873 -1.899 . . . . 0.0 105.873 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.7 t -94.4 171.65 8.68 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 122.007 0.908 . . . . 0.0 110.629 -177.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -52.67 -35.76 55.8 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.569 1.147 . . . . 0.0 110.66 178.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.3 mtmt -55.16 -53.86 50.65 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.113 0.565 . . . . 0.0 110.958 172.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.7 mp0 -58.74 -48.42 81.23 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 178.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 59.2 mt -56.17 -49.69 73.31 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.481 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -54.97 -52.62 62.51 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.208 0.603 . . . . 0.0 109.993 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -58.87 -39.51 81.59 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.864 177.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.1 tp -63.49 -57.59 9.73 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 121.636 -0.665 . . . . 0.0 110.101 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.2 pt -56.46 -46.11 82.11 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 118.156 0.435 . . . . 0.0 110.346 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -50.33 -56.34 11.7 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.978 0.911 . . . . 0.0 110.486 175.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -75.4 -38.86 59.67 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -169.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -65.6 -35.58 81.24 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.516 1.053 . . . . 0.0 110.148 173.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 45.5 tp 65.93 -72.79 0.07 Allowed 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 126.038 1.735 . . . . 0.0 113.261 169.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 70.1 p -81.04 62.9 5.2 Favored 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 121.346 -0.846 . . . . 0.0 110.678 -169.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -51.78 -39.42 24.49 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 C-N-CA 123.714 0.805 . . . . 0.0 111.058 176.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -56.55 -30.14 58.56 Favored Glycine 0 CA--C 1.53 0.997 0 C-N-CA 124.159 0.885 . . . . 0.0 112.858 177.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.2 m -90.7 -49.44 6.47 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 117.71 0.755 . . . . 0.0 109.21 176.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -80.36 61.93 4.31 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 123.863 0.865 . . . . 0.0 110.011 -176.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -49.43 -48.19 47.56 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.275 0.63 . . . . 0.0 110.814 -178.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -40.59 -58.01 1.71 Allowed 'General case' 0 N--CA 1.457 -0.102 0 C-N-CA 124.696 1.198 . . . . 0.0 111.043 170.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -74.73 -31.62 61.88 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 119.487 -0.885 . . . . 0.0 111.01 -175.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.0 -45.04 64.36 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 119.308 0.958 . . . . 0.0 109.249 170.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -63.56 -49.48 73.26 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 117.905 -1.045 . . . . 0.0 111.923 173.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.7 pt -61.13 -46.43 96.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 117.188 -1.805 . . . . 0.0 110.487 -176.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 38.2 t -51.69 -53.52 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 C-N-CA 125.528 1.531 . . . . 0.0 109.751 173.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -55.09 -48.76 73.12 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 118.742 0.701 . . . . 0.0 110.661 -178.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 62.2 mt -63.1 -52.55 62.19 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 117.828 0.286 . . . . 0.0 110.637 -178.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 70.3 mtp -57.31 -46.97 82.68 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.487 0.715 . . . . 0.0 110.179 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -61.2 -49.5 76.92 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.819 1.247 . . . . 0.0 110.793 178.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -53.05 -54.37 36.41 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 118.397 0.544 . . . . 0.0 110.326 175.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 73.8 mt -55.65 -47.59 76.41 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 122.244 0.217 . . . . 0.0 110.679 178.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -62.78 -44.26 96.64 Favored 'General case' 0 C--O 1.224 -0.257 0 C-N-CA 123.308 0.643 . . . . 0.0 112.354 -178.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -72.55 -30.5 64.49 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 122.649 0.38 . . . . 0.0 110.018 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -64.83 -61.53 2.12 Favored 'General case' 0 N--CA 1.458 -0.069 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 173.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -82.66 64.44 7.29 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 175.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -57.06 66.59 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 127.292 2.237 . . . . 0.0 115.658 -167.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -148.05 -92.45 0.08 Allowed 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 126.574 1.949 . . . . 0.0 107.078 175.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -146.78 160.04 42.75 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 127.422 2.289 . . . . 0.0 106.022 173.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 96.0 t -93.91 133.16 35.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 172.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -90.28 153.12 20.7 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 -175.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -44.23 -50.3 8.89 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -59.66 -38.16 80.71 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 121.61 -0.681 . . . . 0.0 110.249 -178.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -67.35 -41.04 85.83 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -59.06 -43.5 91.74 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 176.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.3 mp -59.88 -47.35 91.86 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 O-C-N 121.915 -0.49 . . . . 0.0 111.408 174.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.3 p -61.75 -37.46 84.33 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 120.603 -1.31 . . . . 0.0 111.115 177.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -59.66 -44.0 93.74 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.124 0.42 . . . . 0.0 110.522 171.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 tt -53.06 -51.91 60.23 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 176.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -51.8 -56.57 15.47 Favored Glycine 0 CA--C 1.526 0.755 0 CA-C-O 119.752 -0.471 . . . . 0.0 112.357 173.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.47 -49.94 66.38 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.044 0.937 . . . . 0.0 111.553 -176.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.1 tp -64.31 -55.77 19.07 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 121.891 0.853 . . . . 0.0 109.74 177.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.92 -33.83 76.17 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 118.872 -0.585 . . . . 0.0 112.239 -169.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 22.4 ptp -64.02 -45.89 86.9 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 119.654 1.116 . . . . 0.0 111.398 -178.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 6.0 tp -64.23 -47.98 87.53 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 176.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -50.97 -48.31 61.12 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.688 1.195 . . . . 0.0 110.979 179.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.68 63.15 1.11 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.424 1.489 . . . . 0.0 109.252 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 53.44 33.58 16.28 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.419 1.088 . . . . 0.0 112.951 173.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 50.84 32.1 6.83 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.56 0.618 . . . . 0.0 112.365 -173.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 79.7 mt 50.69 42.76 27.65 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.305 1.442 . . . . 0.0 111.832 -170.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm -133.31 43.97 2.86 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.858 1.263 . . . . 0.0 108.364 170.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.15 0 CA-C-O 117.971 -1.46 . . . . 0.0 111.078 -176.013 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 90.1 mtp . . . . . 0 N--CA 1.475 0.814 0 CA-C-O 120.47 0.176 . . . . 0.0 110.593 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.6 62.8 1.48 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.812 0.845 . . . . 0.0 110.255 176.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 33.8 p 26.99 69.41 0.47 Allowed Pre-proline 0 CA--C 1.542 0.667 0 C-N-CA 127.444 2.298 . . . . 0.0 115.319 174.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -47.84 -42.93 30.43 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.641 2.894 . . . . 0.0 112.819 175.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 86.3 mt -52.31 -50.57 61.95 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 122.789 0.436 . . . . 0.0 110.213 173.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -65.29 -36.88 85.42 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 118.914 -0.565 . . . . 0.0 111.257 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -55.63 -45.72 77.53 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.745 0.702 . . . . 0.0 109.723 171.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.97 -51.14 70.95 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 122.214 -0.304 . . . . 0.0 110.825 178.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 39.8 mm -50.87 -54.03 11.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 175.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.72 -55.39 11.29 Favored Glycine 0 CA--C 1.523 0.569 0 C-N-CA 126.066 1.794 . . . . 0.0 111.491 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 66.5 mt -53.35 -54.63 33.8 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 117.043 0.422 . . . . 0.0 109.979 176.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 44.9 mt -57.88 -52.64 64.65 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 119.444 -0.313 . . . . 0.0 111.758 -175.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 21.5 pt -64.8 -43.19 96.44 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.218 0 CA-C-N 118.18 0.445 . . . . 0.0 110.441 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.59 -56.1 26.39 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 110.581 -1.008 . . . . 0.0 110.581 178.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 81.3 mt -55.19 -47.66 77.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 C-N-CA 123.397 0.679 . . . . 0.0 109.584 179.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -56.56 -56.82 16.45 Favored 'General case' 0 N--CA 1.457 -0.109 0 CA-C-O 121.111 0.481 . . . . 0.0 110.862 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -58.83 -30.98 68.06 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.821 1.248 . . . . 0.0 111.195 -178.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -57.13 -47.13 81.87 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 118.5 0.591 . . . . 0.0 110.445 -178.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -80.48 -56.64 4.04 Favored 'General case' 0 N--CA 1.457 -0.098 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 173.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 15.4 t -55.33 -27.61 48.28 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.591 0.756 . . . . 0.0 112.641 -171.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -45.45 -34.25 4.77 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 124.552 1.072 . . . . 0.0 113.347 170.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -59.99 -40.39 89.04 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.441 1.121 . . . . 0.0 111.399 175.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -76.91 -31.61 56.82 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.406 0.682 . . . . 0.0 109.427 174.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.69 -85.15 0.2 Allowed Glycine 0 C--N 1.335 0.497 0 C-N-CA 125.359 1.457 . . . . 0.0 111.589 168.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -78.29 -48.2 16.21 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.635 1.174 . . . . 0.0 109.654 -179.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -80.06 60.05 3.47 Favored 'General case' 0 CA--C 1.528 0.105 0 N-CA-C 107.321 -1.362 . . . . 0.0 107.321 174.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -66.88 75.45 0.11 Allowed 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 126.002 1.721 . . . . 0.0 112.336 -166.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 50.2 p -132.59 170.91 14.51 Favored 'General case' 0 N--CA 1.437 -1.077 0 C-N-CA 128.008 2.523 . . . . 0.0 106.642 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 97.0 mt -99.97 173.15 6.8 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 125.182 1.393 . . . . 0.0 107.346 168.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 65.6 p -145.93 162.3 38.08 Favored 'General case' 0 N--CA 1.453 -0.295 0 O-C-N 121.321 -0.862 . . . . 0.0 109.741 177.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -53.02 -35.65 59.66 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 169.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -58.42 -57.58 12.32 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.454 0.702 . . . . 0.0 109.812 175.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -57.22 -42.11 80.75 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.944 -0.472 . . . . 0.0 111.508 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 8.4 mp -57.61 -46.55 83.95 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.727 -0.608 . . . . 0.0 110.543 173.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -58.59 -41.12 85.04 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.093 -1.004 . . . . 0.0 111.085 173.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -54.83 -43.18 72.78 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 119.586 1.084 . . . . 0.0 110.742 173.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 56.2 tp -56.64 -51.74 67.54 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.059 0.845 . . . . 0.0 111.11 172.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -59.5 -41.59 85.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 C-N-CA 119.383 -0.927 . . . . 0.0 110.976 -177.226 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -66.91 -33.65 76.06 Favored 'General case' 0 CA--C 1.533 0.289 0 O-C-N 121.962 -0.461 . . . . 0.0 111.662 176.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -62.81 -45.78 91.02 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.425 0.557 . . . . 0.0 109.893 173.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -63.77 -29.86 71.03 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 122.149 -0.344 . . . . 0.0 111.368 170.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 36.3 tp 78.82 -69.77 0.12 Allowed 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 127.852 2.461 . . . . 0.0 109.899 177.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.8 p -79.97 58.85 3.03 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.694 -0.629 . . . . 0.0 110.112 176.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 31.3 mm 62.92 -72.78 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 127.347 2.259 . . . . 0.0 112.769 172.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -141.75 44.8 0.98 Allowed Glycine 0 CA--C 1.522 0.505 0 N-CA-C 109.716 -1.354 . . . . 0.0 109.716 -173.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.3 m -41.22 -42.87 2.21 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 127.631 2.373 . . . . 0.0 113.478 -175.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -75.04 74.1 2.22 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 176.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 39.6 mt 21.95 -83.03 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 129.782 3.233 . . . . 0.0 115.351 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -51.36 -37.24 46.94 Favored 'General case' 0 CA--C 1.52 -0.177 0 C-N-CA 123.551 0.74 . . . . 0.0 111.167 -178.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -57.94 -22.76 50.47 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-O 117.957 -1.02 . . . . 0.0 112.928 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.85 -51.33 61.38 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 120.395 1.452 . . . . 0.0 109.673 169.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . 0.264 2.4 pp20? -74.76 -34.16 62.43 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 117.684 -1.15 . . . . 0.0 111.495 177.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 27.3 mm -63.43 -47.13 93.18 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 CA-C-N 120.637 1.562 . . . . 0.0 109.791 179.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.2 t -54.93 -56.85 8.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 124.426 1.09 . . . . 0.0 109.627 177.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -55.07 -50.84 68.14 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 123.164 0.29 . . . . 0.0 110.599 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 54.9 tp -56.27 -56.95 14.76 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 123.402 0.681 . . . . 0.0 110.096 -178.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 11.2 ttt -62.87 -37.91 88.75 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 122.99 0.516 . . . . 0.0 110.978 -176.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -56.72 -63.56 1.16 Allowed 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 122.713 0.405 . . . . 0.0 110.209 173.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -59.48 -50.95 71.93 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.443 0.697 . . . . 0.0 110.17 -174.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 52.7 tp -66.86 -46.64 74.4 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.903 0.881 . . . . 0.0 111.179 -174.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -118.19 -69.21 0.86 Allowed 'General case' 0 CA--C 1.521 -0.17 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -169.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.41 -22.94 34.91 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -167.166 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -55.29 -37.93 67.97 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 118.365 0.529 . . . . 0.0 111.617 174.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -114.29 -45.11 3.06 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 124.014 0.926 . . . . 0.0 111.524 -176.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -77.2 75.72 3.76 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 124.358 1.063 . . . . 0.0 109.311 -175.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -44.44 -51.19 8.93 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.965 1.306 . . . . 0.0 109.93 173.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.432 ' CD ' ' H ' ' B' ' 67' ' ' GLU . 0.8 OUTLIER -105.34 125.15 50.66 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 126.322 1.849 . . . . 0.0 106.062 169.546 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 88.6 t -102.68 117.03 47.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 C-N-CA 125.87 1.668 . . . . 0.0 106.809 -179.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -89.68 156.59 18.46 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 121.524 -0.735 . . . . 0.0 109.542 -171.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -47.86 -42.8 27.5 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.929 -0.482 . . . . 0.0 112.042 175.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -48.74 -47.79 41.25 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 121.854 -0.529 . . . . 0.0 110.971 172.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -66.14 -41.11 90.88 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 118.973 -0.537 . . . . 0.0 110.112 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -55.84 -51.41 67.61 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.851 0.751 . . . . 0.0 110.105 175.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 40.2 mm -58.24 -53.19 49.44 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-O 121.123 0.487 . . . . 0.0 110.84 177.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 23.7 m -62.52 -37.06 84.61 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.706 -0.621 . . . . 0.0 110.033 -175.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -61.09 -44.21 97.71 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.928 1.291 . . . . 0.0 109.943 173.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.11 -50.24 64.84 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 173.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -47.11 -59.18 5.84 Favored Glycine 0 CA--C 1.528 0.884 0 C-N-CA 123.882 0.754 . . . . 0.0 111.823 172.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.44 -45.62 76.81 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 124.425 1.09 . . . . 0.0 111.922 -176.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.42 -57.89 10.81 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 175.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.86 -39.36 65.6 Favored 'General case' 0 CA--C 1.529 0.151 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -176.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 27.0 ttt -50.53 -18.62 0.7 Allowed 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.658 1.583 . . . . 0.0 113.713 178.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -50.15 -38.25 14.76 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 CA-C-N 119.327 0.967 . . . . 0.0 110.377 169.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 46.79 66.83 0.89 Allowed 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 125.142 1.377 . . . . 0.0 112.522 174.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -36.73 100.22 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.597 1.559 . . . . 0.0 112.913 178.235 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 57.36 49.91 12.33 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.062 0.945 . . . . 0.0 110.258 -179.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 50.61 48.87 21.93 Favored 'General case' 0 C--O 1.226 -0.178 0 C-N-CA 124.046 0.938 . . . . 0.0 109.501 -171.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 95.1 mt 44.88 40.34 4.28 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.409 1.084 . . . . 0.0 112.087 -170.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 53.7 mttp 49.1 37.28 10.37 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.076 0.95 . . . . 0.0 111.692 -175.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.284 0 CA-C-O 116.969 -2.017 . . . . 0.0 112.668 -170.145 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 mmt . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 110.692 -0.114 . . . . 0.0 110.692 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.5 -75.93 0.12 Allowed 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 175.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -173.07 -68.41 0.0 OUTLIER Pre-proline 0 CA--C 1.538 0.515 0 C-N-CA 125.096 1.359 . . . . 0.0 110.943 173.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_endo -77.73 40.44 0.86 Allowed 'Trans proline' 0 CA--C 1.538 0.699 0 C-N-CA 122.627 2.218 . . . . 0.0 113.776 -169.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.5 mp -65.64 -60.62 2.73 Favored 'General case' 0 N--CA 1.456 -0.131 0 O-C-N 120.956 -1.09 . . . . 0.0 108.598 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -58.46 -38.77 78.21 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.104 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -56.68 -46.73 80.97 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 173.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.02 -51.56 67.52 Favored 'General case' 0 C--O 1.231 0.108 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -179.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 48.0 mm -53.13 -54.58 16.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 177.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.63 -54.87 30.23 Favored Glycine 0 CA--C 1.525 0.702 0 C-N-CA 124.28 0.943 . . . . 0.0 111.352 -178.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.82 -51.84 66.08 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.7 tp -56.69 -57.24 13.27 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.448 0.699 . . . . 0.0 111.264 -176.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.5 tp -63.71 -41.06 91.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 O-C-N 121.795 -0.566 . . . . 0.0 109.791 -176.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.03 -55.57 29.59 Favored Glycine 0 CA--C 1.528 0.859 0 N-CA-C 111.585 -0.606 . . . . 0.0 111.585 177.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.3 tt -67.21 -34.08 67.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 O-C-N 121.504 -0.998 . . . . 0.0 110.583 -176.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -58.46 -53.89 53.2 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 118.708 0.686 . . . . 0.0 110.98 171.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -50.44 -45.16 55.73 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 123.732 0.813 . . . . 0.0 110.114 174.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -66.85 -54.66 20.14 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -175.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -61.73 -40.08 93.84 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.016 0.526 . . . . 0.0 110.625 -174.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.9 m -63.13 -65.85 0.63 Allowed 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 170.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -50.94 -34.45 30.52 Favored Glycine 0 CA--C 1.527 0.797 0 C-N-CA 125.942 1.734 . . . . 0.0 113.723 -171.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.3 ttpp -40.1 -38.91 0.8 Allowed 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 125.286 1.434 . . . . 0.0 112.842 172.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -152.55 -39.65 0.11 Allowed 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.342 0.519 . . . . 0.0 111.551 -173.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.49 84.33 0.44 Allowed Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 109.769 -1.332 . . . . 0.0 109.769 174.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -51.42 -37.19 47.23 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.771 0.828 . . . . 0.0 111.653 170.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -57.21 -15.88 6.86 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.139 1.376 . . . . 0.0 112.555 173.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 64.65 42.74 4.59 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.489 1.516 . . . . 0.0 110.928 175.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.8 p -138.98 170.78 15.36 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 127.584 2.354 . . . . 0.0 104.826 169.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.7 tt -92.05 94.19 9.12 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 105.801 -1.925 . . . . 0.0 105.801 -177.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 85.1 p -91.05 170.69 9.82 Favored 'General case' 0 C--N 1.331 -0.197 0 O-C-N 121.669 -0.644 . . . . 0.0 109.952 -172.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -44.0 -37.12 2.79 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.038 0.935 . . . . 0.0 112.618 -177.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -62.6 -52.84 61.78 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.913 -0.492 . . . . 0.0 110.832 176.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -61.98 -37.47 84.94 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 121.637 -0.665 . . . . 0.0 110.18 178.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.6 tp -61.81 -46.69 88.41 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 122.802 0.441 . . . . 0.0 110.125 175.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -56.67 -48.6 77.26 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 122.98 0.512 . . . . 0.0 109.896 175.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -55.39 -42.69 74.36 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 122.293 -0.254 . . . . 0.0 110.915 174.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 39.5 tp -63.37 -48.32 78.42 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 -178.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 76.7 mt -54.75 -51.08 55.31 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 C-N-CA 123.607 0.763 . . . . 0.0 109.257 175.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.0 tm0? -53.32 -49.03 67.89 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.359 0.664 . . . . 0.0 109.885 178.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -60.86 -53.34 58.46 Favored 'General case' 0 N--CA 1.452 -0.355 0 O-C-N 121.791 -0.568 . . . . 0.0 110.566 -178.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -57.35 -35.83 70.42 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 122.163 -0.336 . . . . 0.0 111.223 177.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 61.9 tp -66.14 -40.99 91.05 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 121.894 -0.504 . . . . 0.0 109.903 176.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.4 m -61.63 -44.9 96.11 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 122.915 0.486 . . . . 0.0 110.398 175.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.8 mm -59.15 -41.66 84.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 172.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.46 43.64 53.02 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 171.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.6 p -77.62 51.28 0.89 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.244 1.418 . . . . 0.0 110.355 178.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -55.94 -40.84 73.76 Favored 'General case' 0 C--O 1.226 -0.163 0 C-N-CA 125.439 1.495 . . . . 0.0 111.54 -171.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -63.06 -17.84 62.71 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 178.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.0 mm100 -88.53 4.26 47.37 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-O 118.246 -0.883 . . . . 0.0 111.704 172.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 50.8 p-10 -47.46 -44.61 25.19 Favored 'General case' 0 C--O 1.223 -0.29 0 N-CA-C 115.688 1.736 . . . . 0.0 115.688 -169.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.63 -47.92 58.21 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.381 0.991 . . . . 0.0 110.473 174.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -66.49 -40.7 89.44 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.527 174.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.8 mm -58.91 -45.64 91.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-N 119.789 1.177 . . . . 0.0 110.43 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 68.9 t -57.33 -51.33 70.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 123.866 0.866 . . . . 0.0 109.535 176.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -56.56 -44.81 81.34 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 118.341 0.519 . . . . 0.0 111.316 178.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 29.5 tp -61.73 -49.21 77.34 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.43 1.092 . . . . 0.0 110.171 -178.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.8 mmt -62.31 -40.5 96.52 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.025 0.53 . . . . 0.0 110.678 177.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -59.67 -47.62 84.89 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 118.291 0.496 . . . . 0.0 110.155 172.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -54.09 -48.59 70.51 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.047 0.539 . . . . 0.0 110.826 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 39.7 mt -56.61 -57.84 10.66 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 120.886 0.374 . . . . 0.0 110.324 171.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -74.63 70.75 1.85 Allowed 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.965 0.906 . . . . 0.0 111.047 -177.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.78 57.6 1.31 Allowed 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 169.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 67.02 -38.73 0.34 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 127.38 2.272 . . . . 0.0 113.189 -169.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -74.67 49.59 0.4 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.974 0.91 . . . . 0.0 112.137 176.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -47.92 -38.07 15.72 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 122.425 1.107 . . . . 0.0 109.879 169.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.427 ' H ' ' CD ' ' A' ' 66' ' ' GLN . 3.7 mp0 -54.42 -49.25 70.39 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 127.141 2.176 . . . . 0.0 110.91 178.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -142.42 97.13 3.06 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.918 1.687 . . . . 0.0 111.288 -177.105 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 50.8 t -90.32 109.97 21.43 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 104.796 -2.298 . . . . 0.0 104.796 178.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -93.03 169.48 10.39 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.746 -167.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -50.54 -45.55 56.94 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.824 0.675 . . . . 0.0 112.824 -170.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -59.22 -35.87 74.41 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.268 -0.895 . . . . 0.0 111.445 177.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -72.87 -40.13 65.88 Favored 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 121.772 -0.58 . . . . 0.0 109.549 177.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -56.02 -46.55 78.75 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.285 0.564 . . . . 0.0 110.62 172.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 13.2 mm -56.54 -51.29 67.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 C-N-CA 123.55 0.74 . . . . 0.0 110.011 174.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.7 m -55.15 -42.17 72.76 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.714 -0.616 . . . . 0.0 110.555 177.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -58.24 -42.5 86.5 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.314 1.045 . . . . 0.0 111.26 174.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.3 tt -53.36 -53.24 53.9 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 173.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.16 -53.82 21.8 Favored Glycine 0 CA--C 1.525 0.697 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.656 176.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.02 -55.82 28.26 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 117.418 0.609 . . . . 0.0 110.923 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.86 -53.86 35.7 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.377 1.071 . . . . 0.0 109.636 -179.241 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.82 -45.78 89.2 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.321 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 26.5 ttt -62.24 -38.71 90.29 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.768 -0.582 . . . . 0.0 110.813 179.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.4 mp -58.57 -41.18 81.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 124.18 0.992 . . . . 0.0 109.553 173.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -73.64 55.15 0.5 Allowed 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 118.915 0.78 . . . . 0.0 110.403 169.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -63.65 -35.07 79.33 Favored 'General case' 0 N--CA 1.456 -0.125 0 O-C-N 121.235 -0.915 . . . . 0.0 111.735 -169.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -51.24 -55.91 15.69 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.777 0.831 . . . . 0.0 109.572 170.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.18 -36.59 84.69 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 122.013 -0.429 . . . . 0.0 110.271 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 14.2 tp -55.17 -68.59 0.18 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 119.43 -0.319 . . . . 0.0 110.853 176.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.7 1.61 19.59 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 -168.486 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.133 0 CA-C-O 118.008 -1.44 . . . . 0.0 111.721 -179.601 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.476 0.861 0 N-CA-C 110.24 -0.282 . . . . 0.0 110.24 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.03 154.2 38.46 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 122.078 -0.389 . . . . 0.0 110.629 174.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 19.1 m 57.74 65.63 3.3 Favored Pre-proline 0 CA--C 1.539 0.534 0 C-N-CA 123.779 0.831 . . . . 0.0 112.522 178.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -55.18 -36.44 93.2 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 123.031 2.487 . . . . 0.0 111.813 175.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 54.3 tp -53.18 -52.13 59.82 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.878 -0.514 . . . . 0.0 110.165 171.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -63.59 -40.49 97.07 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 122.266 -0.271 . . . . 0.0 110.631 -177.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -55.42 -45.4 76.76 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 171.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.3 -47.59 85.28 Favored 'General case' 0 C--O 1.236 0.356 0 O-C-N 121.948 -0.47 . . . . 0.0 110.878 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 44.1 mm -50.94 -51.46 20.71 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 171.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.25 -54.08 10.59 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 125.347 1.451 . . . . 0.0 112.207 176.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 87.8 mt -58.47 -55.51 34.11 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 117.781 0.791 . . . . 0.0 110.245 179.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -59.2 -54.59 45.18 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.197 0.522 . . . . 0.0 110.463 -174.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 7.3 tt -61.3 -39.97 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.14 -47.78 66.0 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 123.924 0.773 . . . . 0.0 111.377 174.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 40.3 mt -59.58 -54.78 29.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 O-C-N 121.874 -0.78 . . . . 0.0 109.195 175.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -60.19 -27.77 67.41 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 121.566 0.698 . . . . 0.0 112.433 -177.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 48.0 t60 -56.37 -30.1 62.25 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 123.912 0.885 . . . . 0.0 111.026 177.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -54.86 -43.52 73.17 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.647 0.658 . . . . 0.0 110.452 176.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -77.61 -49.75 13.94 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 4.1 m -51.81 -37.85 53.39 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.268 0.627 . . . . 0.0 111.883 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.6 -22.61 40.07 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 125.375 1.464 . . . . 0.0 113.275 -179.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -63.65 -22.75 67.07 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.952 1.376 . . . . 0.0 111.293 174.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 74.8 -56.68 0.63 Allowed 'General case' 0 C--N 1.34 0.191 0 C-N-CA 126.234 1.814 . . . . 0.0 110.873 174.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.1 -30.62 47.2 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 123.955 0.788 . . . . 0.0 112.204 177.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -64.98 -17.36 64.36 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.288 0.635 . . . . 0.0 112.637 176.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 25.2 mtmm 72.98 -66.25 0.32 Allowed 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 127.284 2.233 . . . . 0.0 110.334 -175.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -179.06 54.61 0.01 OUTLIER 'General case' 0 C--O 1.234 0.248 0 C-N-CA 126.641 1.976 . . . . 0.0 106.783 -178.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 16.9 p -140.92 151.63 44.37 Favored 'General case' 0 N--CA 1.442 -0.826 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 -174.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 5.1 tt -94.17 97.98 10.65 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 104.066 -2.568 . . . . 0.0 104.066 168.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.85 166.0 13.31 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.992 0.917 . . . . 0.0 108.905 -170.551 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 6.0 tmtp? -50.39 -41.04 51.4 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 119.237 0.926 . . . . 0.0 112.083 -174.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -58.02 -41.36 82.98 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.83 -0.544 . . . . 0.0 111.468 174.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -71.15 -36.4 72.03 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.862 0.865 . . . . 0.0 110.195 178.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 tt -58.71 -50.03 75.42 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 172.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.33 -46.44 86.21 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.26 0.624 . . . . 0.0 110.968 175.541 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -53.82 -53.83 46.87 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 122.968 0.507 . . . . 0.0 110.045 176.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 66.8 tp -56.96 -49.3 76.13 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.657 0.783 . . . . 0.0 110.461 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 29.0 mt -50.65 -53.54 12.71 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.151 0 C-N-CA 123.268 0.627 . . . . 0.0 109.53 173.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -53.93 -52.2 61.38 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.066 0.546 . . . . 0.0 110.478 -179.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -57.63 -51.81 68.0 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 118.006 0.366 . . . . 0.0 111.928 178.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -59.79 -37.12 78.22 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 120.258 -0.577 . . . . 0.0 111.409 179.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 38.6 tp -75.26 66.15 1.7 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.833 1.253 . . . . 0.0 110.054 -174.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 21.8 p -138.81 176.37 8.75 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.909 1.283 . . . . 0.0 109.676 -177.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 33.9 pt -75.56 -36.52 34.92 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 122.97 0.508 . . . . 0.0 111.376 -178.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -55.25 -43.0 84.12 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 123.533 0.587 . . . . 0.0 112.368 -173.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.69 -15.76 63.11 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.741 1.617 . . . . 0.0 112.642 177.364 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt 70.15 -69.43 0.17 Allowed 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 126.128 1.771 . . . . 0.0 111.821 171.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -100.37 37.78 1.62 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.57 1.148 . . . . 0.0 109.459 175.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -36.04 -54.86 0.77 Allowed 'General case' 0 C--O 1.223 -0.327 0 C-N-CA 125.041 1.337 . . . . 0.0 113.102 179.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -65.02 -33.52 76.24 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 119.534 1.061 . . . . 0.0 112.764 -173.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.88 -41.3 95.71 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 174.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -62.55 -42.05 99.29 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 118.051 -0.976 . . . . 0.0 110.785 171.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 14.3 mm -58.17 -52.61 56.6 Favored 'Isoleucine or valine' 0 C--N 1.344 0.352 0 CA-C-N 120.126 1.33 . . . . 0.0 109.793 -174.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.1 m -58.76 -46.61 90.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.263 -174.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -63.64 -50.57 68.8 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 177.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 54.9 tp -56.48 -57.28 13.02 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.357 1.063 . . . . 0.0 110.195 -174.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 21.4 ptt? -58.75 -44.42 90.56 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.089 0.404 . . . . 0.0 110.269 -175.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -57.92 -57.23 13.72 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 122.743 0.417 . . . . 0.0 110.671 177.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -64.97 -35.39 81.02 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 122.428 0.291 . . . . 0.0 111.466 -175.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.56 -48.5 69.43 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.108 0.963 . . . . 0.0 110.214 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -69.28 79.95 0.36 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 122.614 0.366 . . . . 0.0 111.53 -173.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -72.09 66.57 0.62 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.723 0.809 . . . . 0.0 109.125 172.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 68.14 -55.27 0.51 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 126.845 2.058 . . . . 0.0 113.646 -177.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 55.5 mttm -77.4 63.9 2.66 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.032 0.933 . . . . 0.0 112.073 -169.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -46.9 -41.37 15.8 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.338 1.055 . . . . 0.0 112.561 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 9.7 tp60 -49.67 -57.36 7.37 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 123.423 0.689 . . . . 0.0 110.894 179.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -150.44 126.98 10.82 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.822 167.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 35.0 m -93.91 138.85 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 N-CA-C 106.167 -1.79 . . . . 0.0 106.167 169.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -88.65 159.61 17.77 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 -169.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -43.85 -44.45 6.9 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 178.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -58.51 -39.38 79.92 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.321 -0.862 . . . . 0.0 112.141 176.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -72.37 -39.91 67.68 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.436 -0.79 . . . . 0.0 110.18 178.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -56.22 -46.41 79.51 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 121.289 0.566 . . . . 0.0 110.003 170.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 10.2 mm -59.1 -46.54 91.84 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 C-N-CA 123.502 0.721 . . . . 0.0 110.014 175.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 28.6 m -58.17 -41.84 84.72 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.061 -1.024 . . . . 0.0 110.723 175.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -56.87 -44.45 82.24 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.905 0.882 . . . . 0.0 110.607 172.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.91 -50.64 65.93 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 172.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -45.72 -59.05 5.08 Favored Glycine 0 CA--C 1.523 0.564 0 C-N-CA 123.987 0.803 . . . . 0.0 111.573 174.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.7 -51.83 67.3 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 117.959 0.879 . . . . 0.0 111.44 178.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 63.4 tp -55.87 -34.76 65.77 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 125.026 1.33 . . . . 0.0 111.504 -177.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.25 -47.74 15.39 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.464 0.705 . . . . 0.0 111.232 174.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 48.0 ttm -52.23 -34.62 46.65 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 126.526 1.93 . . . . 0.0 112.464 -173.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 20.5 pt -57.73 -29.44 34.96 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 176.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -78.91 55.97 1.85 Allowed 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 119.866 1.212 . . . . 0.0 107.922 169.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -56.66 -34.33 67.24 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 -165.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -49.65 -39.11 35.0 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.561 0.745 . . . . 0.0 111.669 174.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -77.1 -22.99 51.9 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 122.921 0.488 . . . . 0.0 111.776 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 4.8 tt -76.61 -50.54 13.55 Favored 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 174.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 42.0 tttm 64.64 -70.15 0.08 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.993 2.117 . . . . 0.0 111.763 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.3 0 CA-C-O 118.059 -1.412 . . . . 0.0 112.475 -172.405 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.4 mtt . . . . . 0 N--CA 1.477 0.904 0 CA-C-O 121.035 0.445 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 61.33 -85.84 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 125.618 1.567 . . . . 0.0 111.802 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -50.92 -54.09 40.8 Favored Pre-proline 0 CA--C 1.534 0.335 0 CA-C-O 117.594 -1.193 . . . . 0.0 114.06 -168.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -58.45 -53.98 3.46 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 122.312 2.008 . . . . 0.0 111.246 -175.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 83.0 mt -58.09 -50.5 73.24 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -58.79 -55.03 40.38 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.534 0.734 . . . . 0.0 111.8 -176.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -63.3 -34.2 77.18 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.085 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.73 -60.32 3.46 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-N 118.308 0.504 . . . . 0.0 110.043 178.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.4 tt -60.42 -44.66 96.64 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -178.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.94 -53.75 32.11 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 176.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 51.2 tp -59.71 -51.94 67.61 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 117.195 0.497 . . . . 0.0 110.328 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 73.5 mt -55.17 -55.26 33.21 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 122.443 0.297 . . . . 0.0 111.065 -179.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 55.4 mt -55.0 -56.35 11.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 178.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -51.55 -55.73 18.71 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 111.45 -0.66 . . . . 0.0 111.45 -177.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 21.2 mm -56.68 -53.12 45.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 O-C-N 122.496 -0.414 . . . . 0.0 109.95 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -64.09 -46.36 84.61 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 117.904 0.32 . . . . 0.0 111.793 -173.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 57.6 t60 -49.95 -51.58 40.23 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 125.321 1.448 . . . . 0.0 109.873 170.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -55.32 18.05 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -172.385 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -48.82 -66.98 0.31 Allowed 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 126.553 1.941 . . . . 0.0 110.272 176.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -64.58 -39.46 93.77 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.752 0.311 . . . . 0.0 110.658 -174.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -52.28 -60.8 7.27 Favored Glycine 0 C--N 1.336 0.54 0 C-N-CA 124.35 0.976 . . . . 0.0 111.301 178.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -58.9 -43.95 91.13 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 117.078 0.439 . . . . 0.0 110.978 -179.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -67.59 -40.48 84.81 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -175.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -177.36 45.64 0.1 OUTLIER Glycine 0 CA--C 1.524 0.643 0 CA-C-O 119.173 -0.793 . . . . 0.0 113.717 178.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.7 t70 66.97 -66.35 0.19 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.23 1.812 . . . . 0.0 114.085 170.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -52.51 125.81 17.52 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 125.039 1.336 . . . . 0.0 110.24 -171.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -79.45 61.4 3.48 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 121.556 0.694 . . . . 0.0 109.201 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 46.1 p -143.21 142.97 31.57 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 105.501 -2.037 . . . . 0.0 105.501 -174.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.4 tt -88.45 83.12 6.85 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 103.707 -2.701 . . . . 0.0 103.707 -174.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.63 174.18 7.32 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 126.694 1.998 . . . . 0.0 108.978 -170.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -48.13 -43.67 31.38 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.72 -0.613 . . . . 0.0 112.648 -170.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -56.56 -56.84 16.24 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.08 0.552 . . . . 0.0 110.584 175.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 55.4 mp0 -53.5 -46.04 69.89 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.621 1.168 . . . . 0.0 110.034 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.6 tt -60.26 -51.51 69.26 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 122.975 0.51 . . . . 0.0 109.872 178.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.3 ttmm -53.49 -48.47 68.92 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 123.231 0.612 . . . . 0.0 110.343 178.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -59.13 -50.6 73.45 Favored 'General case' 0 N--CA 1.454 -0.247 0 O-C-N 121.782 -0.574 . . . . 0.0 109.697 177.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 55.8 tp -52.38 -56.27 16.07 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 122.864 0.465 . . . . 0.0 110.553 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 33.8 pt -60.6 -43.05 93.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.494 -176.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -55.34 -51.68 65.96 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 118.987 0.812 . . . . 0.0 111.171 175.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -55.85 -47.13 77.82 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.437 0.295 . . . . 0.0 110.936 178.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -61.99 -33.88 75.13 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 118.726 -0.654 . . . . 0.0 112.071 177.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 41.9 mt -77.29 -36.67 53.98 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 118.78 0.718 . . . . 0.0 112.206 -175.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.1 t -70.08 -177.8 1.46 Allowed 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 118.45 0.568 . . . . 0.0 111.135 174.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 84.0 mt 60.1 -76.83 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 C-N-CA 126.753 2.021 . . . . 0.0 110.636 -174.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.54 -24.2 59.25 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 178.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.2 m 76.67 83.11 0.09 Allowed 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.52 1.528 . . . . 0.0 113.013 170.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 65.9 mttm 73.11 -53.3 0.7 Allowed 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 126.492 1.917 . . . . 0.0 115.204 167.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 82.8 mt -49.48 -33.37 14.23 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.474 1.11 . . . . 0.0 113.034 -171.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.401 ' H ' ' CD ' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -53.29 -11.98 0.35 Allowed 'General case' 0 C--O 1.226 -0.162 0 C-N-CA 125.77 1.628 . . . . 0.0 113.024 174.824 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -50.7 -37.0 38.82 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 119.874 1.215 . . . . 0.0 112.014 169.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.73 -39.13 16.87 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.371 0.668 . . . . 0.0 111.152 171.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -79.92 -46.55 16.56 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 123.631 0.772 . . . . 0.0 110.504 171.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . 0.256 0.9 OUTLIER -58.97 -37.33 66.81 Favored 'Isoleucine or valine' 0 C--N 1.345 0.41 0 C-N-CA 118.564 -1.255 . . . . 0.0 111.928 -171.263 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 34.2 m -61.26 -39.76 83.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-N 119.024 0.829 . . . . 0.0 110.874 177.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? -67.23 -47.84 69.6 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.5 mp -59.81 -48.32 82.16 Favored 'General case' 0 C--O 1.225 -0.199 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 178.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.7 tpt -51.69 -55.23 20.71 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.373 1.069 . . . . 0.0 110.006 174.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -52.96 -52.28 58.6 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.204 0.602 . . . . 0.0 111.002 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -57.03 -55.16 38.34 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 122.649 0.38 . . . . 0.0 111.131 178.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 60.0 mt -53.41 -42.17 66.72 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.198 0.599 . . . . 0.0 110.447 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -59.38 -21.78 60.4 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 -179.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 58.9 mmt-85 -41.97 -39.29 1.84 Allowed 'General case' 0 C--N 1.344 0.349 0 C-N-CA 125.31 1.444 . . . . 0.0 114.493 -170.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.4 50.15 0.51 Allowed 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.407 1.003 . . . . 0.0 111.78 174.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? 37.89 36.85 0.11 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 128.349 2.66 . . . . 0.0 114.628 -177.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -175.8 140.53 0.44 Allowed 'General case' 0 CA--C 1.523 -0.095 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.82 38.97 0.27 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.373 1.069 . . . . 0.0 112.138 -178.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -143.13 131.47 22.13 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 106.23 -1.767 . . . . 0.0 106.23 177.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.4 t -120.9 139.85 46.88 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 C-N-CA 123.34 0.656 . . . . 0.0 110.053 -170.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -92.24 155.97 17.61 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 124.096 0.958 . . . . 0.0 109.798 -175.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -38.26 -62.41 0.58 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.392 1.477 . . . . 0.0 113.946 -174.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -60.75 -31.88 71.19 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 121.055 -1.028 . . . . 0.0 110.331 -176.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -77.73 -28.22 50.75 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 121.542 -0.724 . . . . 0.0 110.131 179.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -66.04 -46.43 77.86 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 171.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.5 mp -56.78 -49.07 79.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 O-C-N 122.111 -0.368 . . . . 0.0 110.193 171.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 30.1 m -61.18 -37.5 83.16 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 120.862 -1.149 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -58.36 -44.06 88.65 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.072 0.949 . . . . 0.0 110.677 171.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.2 tt -54.2 -51.58 63.96 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 171.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -46.16 -54.98 7.92 Favored Glycine 0 C--O 1.222 -0.632 0 CA-C-O 119.094 -0.837 . . . . 0.0 111.996 175.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.06 -56.19 22.57 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 118.153 0.977 . . . . 0.0 110.598 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 96.6 mt -52.21 -52.36 52.71 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 122.773 0.429 . . . . 0.0 110.818 -178.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.72 -48.98 76.88 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 120.624 0.25 . . . . 0.0 111.089 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 16.6 tmm? -56.5 -44.66 80.93 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 124.824 1.25 . . . . 0.0 111.022 -175.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 26.6 pt -60.82 -13.22 6.53 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 119.785 -0.766 . . . . 0.0 112.714 178.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -91.33 25.65 2.49 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.296 0.953 . . . . 0.0 111.486 170.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -45.14 -35.32 3.1 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.808 1.243 . . . . 0.0 112.198 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.4 mp0 -50.7 -38.62 48.14 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.352 1.061 . . . . 0.0 111.584 177.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.15 -36.18 81.06 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.739 0.416 . . . . 0.0 111.031 176.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 46.3 mt -71.61 -54.84 9.13 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 176.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -77.97 54.25 1.28 Allowed 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.665 -0.647 . . . . 0.0 109.81 176.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.141 0 CA-C-O 117.417 -1.769 . . . . 0.0 109.928 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 51.8 ttm . . . . . 0 N--CA 1.476 0.825 0 CA-C-O 120.505 0.193 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.35 174.89 12.87 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 125.086 1.354 . . . . 0.0 107.347 178.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -167.06 164.6 9.75 Favored Pre-proline 0 CA--C 1.535 0.367 0 C-N-CA 126.083 1.753 . . . . 0.0 106.759 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_exo -44.75 -45.93 13.06 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 123.893 3.062 . . . . 0.0 114.064 -178.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 86.2 mt -58.22 -41.72 84.7 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.976 -0.452 . . . . 0.0 111.336 177.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -67.44 -43.94 79.9 Favored 'General case' 0 CA--C 1.521 -0.171 0 O-C-N 121.819 -0.55 . . . . 0.0 109.692 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 14.4 tp60 -56.69 -42.77 79.65 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 174.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.76 -52.47 63.08 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 122.897 0.479 . . . . 0.0 109.861 -178.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 61.8 mt -49.06 -58.04 1.43 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 123.808 0.843 . . . . 0.0 109.106 174.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.26 -51.63 20.22 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 124.057 0.837 . . . . 0.0 111.489 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 5.6 tt -62.17 -54.72 36.99 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 122.405 -0.468 . . . . 0.0 110.496 -177.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 pp -64.35 -41.39 96.78 Favored 'General case' 0 C--O 1.237 0.412 0 O-C-N 122.02 -0.425 . . . . 0.0 111.961 -173.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 10.8 pt -66.42 -38.18 81.21 Favored 'Isoleucine or valine' 0 C--N 1.342 0.251 0 C-N-CA 120.125 -0.63 . . . . 0.0 109.719 172.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -52.61 -56.14 19.41 Favored Glycine 0 CA--C 1.528 0.869 0 C-N-CA 124.017 0.818 . . . . 0.0 111.807 176.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 6.9 tp -62.15 -46.87 95.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 117.961 0.881 . . . . 0.0 110.113 177.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -55.23 -43.55 74.66 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.306 0.503 . . . . 0.0 111.204 -178.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -55.06 -33.12 62.45 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 125.393 1.477 . . . . 0.0 112.464 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -56.91 -35.06 68.56 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 118.73 0.696 . . . . 0.0 110.322 178.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -81.0 -65.51 1.0 Allowed 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 169.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 18.8 m -72.63 71.8 1.0 Allowed 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 124.36 1.064 . . . . 0.0 110.313 178.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -167.63 -43.1 0.03 OUTLIER Glycine 0 CA--C 1.524 0.622 0 N-CA-C 107.243 -2.343 . . . . 0.0 107.243 -174.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -62.56 88.33 0.03 OUTLIER 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 106.731 -1.581 . . . . 0.0 106.731 167.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 73.13 -55.97 0.67 Allowed 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 126.002 1.721 . . . . 0.0 109.263 -168.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 61.18 59.48 9.96 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 109.761 -1.336 . . . . 0.0 109.761 178.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -44.14 -41.85 5.95 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 125.718 1.607 . . . . 0.0 111.825 -174.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -164.51 -158.14 0.4 Allowed 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 104.583 -2.377 . . . . 0.0 104.583 169.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 31.7 p-80 -67.38 65.2 0.07 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.472 0.709 . . . . 0.0 110.544 169.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 12.5 t -146.03 144.42 30.06 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.037 0.935 . . . . 0.0 110.224 -177.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 9.5 tt -97.45 108.14 20.8 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 105.096 -2.187 . . . . 0.0 105.096 169.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.8 m -92.4 171.05 9.3 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.47 0.708 . . . . 0.0 111.173 -169.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -47.26 -46.45 24.61 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.994 0.918 . . . . 0.0 111.894 179.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -50.19 -46.5 54.38 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.632 0.73 . . . . 0.0 110.522 173.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -71.07 -36.1 72.15 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 123.358 0.663 . . . . 0.0 110.997 -177.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 72.9 mt -58.63 -47.48 84.23 Favored 'General case' 0 C--O 1.226 -0.153 0 CA-C-N 118.932 0.787 . . . . 0.0 110.2 170.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -57.06 -53.8 53.97 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 118.288 0.495 . . . . 0.0 110.532 177.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -53.21 -50.65 64.27 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 117.791 0.269 . . . . 0.0 110.955 176.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 tt -53.67 -59.1 5.04 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.236 1.014 . . . . 0.0 109.852 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 76.6 mt -52.14 -50.29 36.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-N 118.12 0.418 . . . . 0.0 109.927 179.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -55.98 -44.18 78.31 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 122.879 0.472 . . . . 0.0 111.768 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -65.29 -58.38 6.07 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 118.449 0.568 . . . . 0.0 110.473 175.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -52.07 -30.98 28.34 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.548 1.139 . . . . 0.0 112.114 -177.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 56.4 tp -55.52 -34.89 65.05 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 118.318 -0.849 . . . . 0.0 112.302 176.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 14.6 t 3.27 102.55 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 128.115 2.566 . . . . 0.0 114.967 -172.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 43.0 mt 70.48 -65.16 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 C-N-CA 126.656 1.982 . . . . 0.0 110.519 -178.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 179.01 51.46 0.08 OUTLIER Glycine 0 CA--C 1.523 0.577 0 N-CA-C 109.961 -1.255 . . . . 0.0 109.961 179.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 49.9 m -80.51 54.09 1.98 Allowed 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.636 1.174 . . . . 0.0 110.327 -176.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -55.72 -43.83 76.91 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.781 1.232 . . . . 0.0 112.071 -170.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 6.2 tt -56.45 -54.78 41.72 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -57.41 -43.87 84.11 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -59.32 -43.95 92.62 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 119.876 -0.73 . . . . 0.0 111.843 177.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.93 -42.78 72.67 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 119.041 0.837 . . . . 0.0 109.824 175.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -61.05 -41.23 96.21 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 119.116 -0.469 . . . . 0.0 110.543 173.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 1.5 mp -66.65 -39.07 82.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-N 119.176 0.898 . . . . 0.0 110.122 -179.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 57.4 t -59.72 -49.81 82.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 175.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -56.04 -49.01 74.93 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.334 0.516 . . . . 0.0 110.681 176.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 tt -52.72 -57.63 9.49 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.711 0.804 . . . . 0.0 109.136 178.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 61.9 ttp -51.14 -49.98 59.78 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.655 1.182 . . . . 0.0 110.566 177.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -56.74 -50.78 71.22 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 122.925 0.49 . . . . 0.0 110.301 -178.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -64.7 -44.77 89.19 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 121.064 0.459 . . . . 0.0 111.395 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 31.6 tp -68.39 -46.52 69.79 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 125.404 1.482 . . . . 0.0 112.342 -173.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -79.02 65.07 4.09 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.531 0.733 . . . . 0.0 112.518 -167.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.03 -31.58 61.2 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.335 0.654 . . . . 0.0 110.204 169.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -69.38 2.13 3.29 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.482 1.113 . . . . 0.0 113.307 174.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? 76.1 -60.14 0.49 Allowed 'General case' 0 C--N 1.338 0.069 0 C-N-CA 125.918 1.687 . . . . 0.0 112.06 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -169.62 -163.89 0.41 Allowed 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 125.286 1.434 . . . . 0.0 109.234 -177.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 75.08 -68.65 0.2 Allowed 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 125.928 1.691 . . . . 0.0 112.416 169.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 13.2 mp0 -135.38 109.55 8.31 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 125.881 1.672 . . . . 0.0 108.622 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 20.2 t -92.41 115.91 32.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 N-CA-C 105.333 -2.099 . . . . 0.0 105.333 174.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -91.33 143.93 26.12 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 121.504 -0.747 . . . . 0.0 109.799 -168.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -52.38 -33.95 45.7 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.182 0.993 . . . . 0.0 113.048 -176.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -58.76 -32.69 69.5 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 120.818 -1.176 . . . . 0.0 111.415 175.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -64.57 -49.61 70.51 Favored 'General case' 0 C--O 1.225 -0.225 0 O-C-N 121.596 -0.69 . . . . 0.0 109.705 172.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -51.83 -47.19 64.46 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.639 0.776 . . . . 0.0 110.129 177.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 16.5 mm -63.95 -57.65 10.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 C-N-CA 122.979 0.511 . . . . 0.0 111.196 179.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 29.2 p -60.47 -33.67 72.92 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.265 -0.897 . . . . 0.0 111.132 -177.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -58.76 -48.92 79.55 Favored 'General case' 0 C--N 1.34 0.165 0 C-N-CA 125.914 1.685 . . . . 0.0 110.358 169.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.23 -48.24 62.16 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 172.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -51.94 -59.04 9.2 Favored Glycine 0 CA--C 1.524 0.639 0 CA-C-O 119.382 -0.677 . . . . 0.0 111.725 175.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.76 -49.26 68.6 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.335 1.067 . . . . 0.0 111.155 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 47.7 tp -59.12 -33.82 71.31 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.307 1.043 . . . . 0.0 111.033 -179.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.87 -50.14 25.7 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 118.342 0.519 . . . . 0.0 111.218 171.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 66.7 mtp -58.37 -19.91 39.54 Favored 'General case' 0 N--CA 1.46 0.047 0 C-N-CA 126.204 1.802 . . . . 0.0 113.574 -169.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 11.0 tp -51.26 -40.07 22.21 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 CA-C-N 118.47 0.577 . . . . 0.0 110.792 169.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 65.07 -41.21 0.3 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 127.319 2.248 . . . . 0.0 114.501 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -56.97 139.48 51.87 Favored 'General case' 0 N--CA 1.455 -0.211 0 O-C-N 120.7 -1.25 . . . . 0.0 107.673 167.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 66.56 -61.16 0.32 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.226 1.411 . . . . 0.0 111.855 -170.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.48 -55.63 17.84 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.689 1.195 . . . . 0.0 112.466 -176.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 94.9 mt -103.01 24.52 10.64 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.345 1.058 . . . . 0.0 109.51 169.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? 46.93 34.5 2.73 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.748 1.219 . . . . 0.0 111.919 -173.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.095 0 CA-C-O 117.184 -1.898 . . . . 0.0 110.278 -175.593 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.2 mtm . . . . . 0 N--CA 1.478 0.93 0 CA-C-O 119.262 -0.399 . . . . 0.0 111.978 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.95 58.37 0.07 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 126.954 2.101 . . . . 0.0 112.426 -179.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.1 m -54.15 -42.89 95.96 Favored Pre-proline 0 N--CA 1.446 -0.627 0 C-N-CA 125.715 1.606 . . . . 0.0 113.347 -169.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -46.04 -36.31 15.95 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 122.76 2.307 . . . . 0.0 113.809 175.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 88.0 mt -59.71 -49.49 77.55 Favored 'General case' 0 C--N 1.341 0.205 0 CA-C-N 118.504 0.593 . . . . 0.0 109.952 175.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -37.21 74.52 Favored 'General case' 0 N--CA 1.454 -0.238 0 O-C-N 122.07 -0.393 . . . . 0.0 110.886 -176.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.42 -50.99 68.36 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 170.035 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.43 -53.89 53.0 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 122.463 0.305 . . . . 0.0 110.218 -175.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.8 mt -55.24 -51.79 51.93 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 C-N-CA 123.224 0.61 . . . . 0.0 109.379 177.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.56 -58.51 9.0 Favored Glycine 0 CA--C 1.526 0.721 0 C-N-CA 124.0 0.81 . . . . 0.0 111.353 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.16 -50.53 73.18 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 117.153 0.476 . . . . 0.0 110.441 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.8 tp -54.45 -55.87 24.46 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.767 0.827 . . . . 0.0 110.935 -176.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mp -63.68 -41.83 93.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -44.97 -57.82 5.24 Favored Glycine 0 CA--C 1.526 0.769 0 C-N-CA 125.769 1.652 . . . . 0.0 112.23 175.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.8 tp -74.2 -45.27 47.97 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 CA-C-N 117.618 0.709 . . . . 0.0 110.72 178.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -51.23 -50.3 59.41 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 122.664 0.386 . . . . 0.0 110.989 -172.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -61.37 -32.76 72.69 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 119.824 -0.751 . . . . 0.0 111.84 -176.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -71.9 -52.92 14.91 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 178.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -55.06 -51.1 67.39 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.336 0.654 . . . . 0.0 110.582 -179.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 90.4 p -72.61 -34.93 67.7 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.117 0.567 . . . . 0.0 111.373 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -50.66 -27.97 14.25 Favored Glycine 0 CA--C 1.526 0.769 0 C-N-CA 125.309 1.433 . . . . 0.0 113.178 177.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -48.95 -38.23 22.34 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 117.804 0.802 . . . . 0.0 111.925 171.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -68.76 -54.92 13.15 Favored 'General case' 0 N--CA 1.457 -0.111 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 173.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.78 -176.91 39.79 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -56.03 -23.88 35.95 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.747 1.219 . . . . 0.0 112.933 -177.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -67.95 -7.06 25.49 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.825 0.85 . . . . 0.0 112.322 177.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.8 p-80 47.08 62.6 2.31 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.82 1.648 . . . . 0.0 111.661 170.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.9 t -130.69 152.69 49.78 Favored 'General case' 0 N--CA 1.443 -0.825 0 C-N-CA 125.311 1.444 . . . . 0.0 107.85 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.9 mp -92.88 116.66 29.24 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 106.525 -1.658 . . . . 0.0 106.525 174.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.5 p -97.6 173.94 6.89 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 124.662 1.185 . . . . 0.0 108.335 168.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -43.08 -34.96 1.15 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.142 0.577 . . . . 0.0 111.881 168.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -59.75 -62.51 1.82 Allowed 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 118.679 0.672 . . . . 0.0 110.108 178.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.5 mp0 -57.4 -44.18 84.34 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 122.891 0.476 . . . . 0.0 109.947 -177.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.7 tt -54.23 -62.75 1.45 Allowed 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.468 0.707 . . . . 0.0 109.307 177.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -56.53 -53.65 55.02 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.227 0.611 . . . . 0.0 109.564 -175.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.75 -53.66 14.56 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.232 0.613 . . . . 0.0 110.06 178.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.8 tp -57.5 -62.46 1.76 Allowed 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 121.024 -0.27 . . . . 0.0 110.592 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 34.6 pt -63.79 -34.49 68.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 119.729 -0.788 . . . . 0.0 111.462 -170.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -65.63 -52.7 49.8 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.111 0.964 . . . . 0.0 110.099 178.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -62.24 -44.31 96.84 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.456 0.571 . . . . 0.0 111.065 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -61.6 -35.49 78.0 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 173.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.2 tp 60.78 44.3 11.17 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 125.038 1.335 . . . . 0.0 107.89 -167.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -52.61 -35.35 54.28 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.471 1.108 . . . . 0.0 110.973 -174.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.459 ' H ' HD12 ' A' ' 44' ' ' ILE . 1.9 mp -37.82 -43.79 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 127.029 2.132 . . . . 0.0 111.04 171.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -47.49 -36.31 11.56 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 124.511 1.053 . . . . 0.0 113.581 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.8 p -68.98 -30.52 68.95 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 118.355 1.077 . . . . 0.0 111.978 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.2 tptm 59.68 -73.13 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 127.036 2.134 . . . . 0.0 112.672 178.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 80.2 mt -55.63 141.67 36.75 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 171.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . 0.414 1.8 pp0? 60.4 -42.62 0.1 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 127.099 2.159 . . . . 0.0 114.62 -169.048 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -60.67 -34.71 74.73 Favored 'General case' 0 C--O 1.225 -0.212 0 O-C-N 120.186 -1.571 . . . . 0.0 112.392 176.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.11 -43.94 31.38 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.501 0.667 . . . . 0.0 109.883 168.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -72.71 -37.48 67.79 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 118.168 -0.92 . . . . 0.0 110.693 175.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 65.1 mt -56.59 -56.09 15.86 Favored 'Isoleucine or valine' 0 C--N 1.345 0.399 0 CA-C-N 120.001 1.273 . . . . 0.0 109.625 175.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.5 p -63.07 -39.62 85.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-O 119.146 -0.454 . . . . 0.0 110.62 -177.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -56.97 -51.87 67.5 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.926 0.784 . . . . 0.0 110.801 174.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.9 mt -59.9 -48.41 81.8 Favored 'General case' 0 N--CA 1.455 -0.177 0 O-C-N 122.141 -0.349 . . . . 0.0 110.282 -178.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 54.5 mtt -54.62 -53.34 55.92 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 176.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -52.98 -52.95 56.52 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.734 0.814 . . . . 0.0 110.977 178.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -63.52 -49.17 74.57 Favored 'General case' 0 N--CA 1.455 -0.186 0 O-C-N 122.269 -0.269 . . . . 0.0 111.485 -177.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 56.0 tp -57.04 -45.3 83.26 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 178.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -59.9 -52.35 65.78 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 122.639 0.375 . . . . 0.0 110.588 178.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.8 ttp-105 -50.45 -43.64 55.27 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 122.472 0.309 . . . . 0.0 110.19 175.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.28 -45.2 81.27 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 119.166 -0.445 . . . . 0.0 111.095 -178.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -107.07 29.22 7.29 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.791 0.836 . . . . 0.0 112.578 -169.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.4 t0 44.58 44.98 7.68 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.644 1.178 . . . . 0.0 111.699 -178.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . 0.308 0.9 OUTLIER 50.44 13.35 0.12 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 128.181 2.592 . . . . 0.0 116.3 -174.844 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -94.62 90.25 6.07 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 172.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 79.6 t -92.08 99.96 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 N-CA-C 105.445 -2.058 . . . . 0.0 105.445 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -90.77 170.14 10.37 Favored 'General case' 0 N--CA 1.461 0.124 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 -175.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -44.27 -51.25 8.5 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -169.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -61.61 -35.45 77.9 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.201 -0.937 . . . . 0.0 111.465 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -71.18 -38.9 72.12 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 121.77 -0.581 . . . . 0.0 110.027 176.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -56.05 -50.2 71.62 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.417 0.553 . . . . 0.0 109.907 171.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 20.3 mm -54.68 -50.24 61.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 O-C-N 121.967 -0.458 . . . . 0.0 109.98 176.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.9 m -55.3 -42.06 73.16 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.768 -0.582 . . . . 0.0 110.596 175.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -62.43 -37.99 88.01 Favored 'General case' 0 C--O 1.224 -0.259 0 C-N-CA 123.316 0.646 . . . . 0.0 111.09 176.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.2 tt -56.1 -49.89 72.58 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 173.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.42 -56.19 13.93 Favored Glycine 0 CA--C 1.53 0.969 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.881 172.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.45 -49.06 78.67 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 117.628 0.714 . . . . 0.0 111.652 -177.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.7 tp -52.99 -57.45 10.29 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.155 0.982 . . . . 0.0 109.053 176.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.4 -41.62 66.15 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 122.931 0.492 . . . . 0.0 111.247 178.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 39.4 ttm -55.67 -33.1 63.8 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.23 0.612 . . . . 0.0 111.7 178.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 36.2 mm -60.46 -29.88 45.37 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 CA-C-N 119.649 1.113 . . . . 0.0 111.255 174.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -91.6 -2.09 57.23 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.209 1.003 . . . . 0.0 112.244 175.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.0 p30 12.76 -83.12 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 128.828 2.851 . . . . 0.0 115.143 174.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -40.0 -42.12 1.33 Allowed 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.656 1.582 . . . . 0.0 111.909 -177.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -43.85 -34.24 1.56 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.962 1.305 . . . . 0.0 113.564 178.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -131.24 -10.02 3.73 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 113.882 1.068 . . . . 0.0 113.882 175.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -90.31 -8.06 51.82 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.982 0.81 . . . . 0.0 111.849 172.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.298 0 CA-C-O 117.853 -1.526 . . . . 0.0 110.891 176.902 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.474 0.746 0 N-CA-C 111.343 0.127 . . . . 0.0 111.343 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 58.48 -71.01 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.269 1.827 . . . . 0.0 113.166 -175.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 173.92 -67.31 0.0 OUTLIER Pre-proline 0 CA--C 1.539 0.548 0 C-N-CA 127.99 2.516 . . . . 0.0 109.66 176.135 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -60.87 -45.93 18.38 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 122.077 1.851 . . . . 0.0 111.338 178.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 60.3 tp -59.52 -46.56 88.51 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 122.829 0.452 . . . . 0.0 110.155 176.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -54.58 -49.14 71.08 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 118.054 0.388 . . . . 0.0 111.034 175.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.34 -42.53 70.34 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 122.973 0.509 . . . . 0.0 110.638 173.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.47 -50.53 58.69 Favored 'General case' 0 CA--C 1.528 0.123 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -175.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 91.1 mt -55.18 -50.4 64.41 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.165 0 C-N-CA 123.692 0.797 . . . . 0.0 108.967 174.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.47 -54.46 24.1 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 124.05 0.833 . . . . 0.0 111.084 178.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 55.0 tp -57.34 -51.67 68.46 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.816 0.447 . . . . 0.0 110.428 179.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 21.8 tp -53.79 -56.46 17.34 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.252 1.021 . . . . 0.0 111.023 -179.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 23.8 mm -57.02 -44.1 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 123.941 0.897 . . . . 0.0 109.053 178.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -50.27 -66.84 2.14 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 123.968 0.794 . . . . 0.0 111.265 174.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 7.8 tp -55.64 -43.97 75.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-N 117.948 0.874 . . . . 0.0 110.555 -176.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -55.61 -48.39 74.98 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 122.04 -0.412 . . . . 0.0 111.232 176.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -62.79 -31.45 72.43 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.2 0.6 . . . . 0.0 111.467 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -56.83 -41.2 77.44 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 119.353 0.979 . . . . 0.0 110.042 175.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -71.9 -66.76 0.6 Allowed 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 172.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 45.9 m -73.75 69.79 1.35 Allowed 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 124.426 1.091 . . . . 0.0 109.344 179.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 174.75 -20.24 0.05 OUTLIER Glycine 0 CA--C 1.531 1.083 0 C-N-CA 126.696 2.093 . . . . 0.0 110.981 -170.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -71.21 71.19 0.59 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.566 1.147 . . . . 0.0 112.79 -173.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 65.36 -68.45 0.11 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 128.094 2.558 . . . . 0.0 113.241 169.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.09 -61.66 1.56 Allowed Glycine 0 CA--C 1.523 0.54 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 -177.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.36 40.1 0.48 Allowed 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.921 0.888 . . . . 0.0 111.209 -169.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.59 53.26 1.83 Allowed 'General case' 0 CA--C 1.531 0.218 0 O-C-N 121.021 -1.05 . . . . 0.0 111.702 -175.098 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -150.99 -53.49 0.14 Allowed 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.547 1.139 . . . . 0.0 111.259 -173.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 36.0 p -146.91 173.15 12.68 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 125.686 1.594 . . . . 0.0 107.115 -169.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 91.8 mt -88.25 76.89 8.34 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 105.438 -2.06 . . . . 0.0 105.438 174.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 14.0 m -89.62 171.41 9.7 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 114.462 -1.245 . . . . 0.0 108.524 -178.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -24.75 -62.35 0.06 Allowed 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 126.931 2.093 . . . . 0.0 114.258 -168.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -53.94 -52.29 61.11 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 121.233 0.539 . . . . 0.0 109.945 -176.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -63.89 -41.84 97.62 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 123.762 0.825 . . . . 0.0 110.849 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 52.2 tp -58.33 -51.57 69.24 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 179.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -63.24 -47.96 80.27 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 122.279 -0.263 . . . . 0.0 110.61 -178.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -53.53 -49.26 68.0 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 122.211 -0.306 . . . . 0.0 110.806 173.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 50.4 tp -55.31 -60.02 3.99 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 118.323 -0.846 . . . . 0.0 109.53 -179.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 24.2 pt -58.93 -41.84 84.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 CA-C-N 119.491 1.042 . . . . 0.0 110.75 -176.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -54.53 -46.21 73.51 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 122.511 0.324 . . . . 0.0 110.804 177.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -80.64 -23.25 39.82 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -65.92 -37.44 86.07 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.139 -0.976 . . . . 0.0 109.824 174.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 60.6 tp -41.73 129.27 3.35 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.509 1.124 . . . . 0.0 111.875 177.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 8.9 t -158.93 -177.99 6.92 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 171.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 75.5 mt -132.88 149.33 31.76 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 C-N-CA 125.546 1.538 . . . . 0.0 108.391 -170.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -152.57 -160.7 9.77 Favored Glycine 0 CA--C 1.529 0.916 0 N-CA-C 108.278 -1.929 . . . . 0.0 108.278 172.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 8.7 p -80.5 55.93 2.44 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.82 1.31 . . . . 0.0 110.995 -179.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 23.8 tptm 70.67 -58.22 0.56 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 127.247 2.219 . . . . 0.0 112.415 172.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 8.1 mp -75.28 58.28 0.94 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.561 1.545 . . . . 0.0 108.556 174.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -168.29 -59.36 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 130.434 3.493 . . . . 0.0 103.727 -176.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -51.64 -45.67 63.42 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 122.45 0.3 . . . . 0.0 110.803 172.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -49.46 -44.84 46.09 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.295 0.569 . . . . 0.0 110.505 173.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -69.14 -35.07 75.97 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 118.615 -0.707 . . . . 0.0 110.672 176.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 1.7 mp -62.48 -47.59 92.26 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 119.62 1.1 . . . . 0.0 108.901 175.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 71.5 t -56.76 -48.88 80.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 C-N-CA 123.188 0.595 . . . . 0.0 109.626 177.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -56.11 -48.55 75.96 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 122.184 -0.322 . . . . 0.0 111.053 176.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 13.6 tp -63.09 -47.13 84.19 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.268 0.627 . . . . 0.0 110.132 -176.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 34.2 ttp -54.79 -52.84 61.36 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.908 0.883 . . . . 0.0 109.951 174.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -54.09 -50.96 65.63 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 122.89 0.476 . . . . 0.0 110.678 178.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -53.39 -51.24 63.17 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.355 0.662 . . . . 0.0 111.419 176.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 57.0 mt -58.94 -48.04 82.91 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 122.421 0.288 . . . . 0.0 111.037 178.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -58.5 -49.61 76.76 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 123.499 0.719 . . . . 0.0 111.451 -179.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 18.4 mtp-105 57.36 -70.75 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 127.092 2.157 . . . . 0.0 111.81 -168.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -128.75 -0.4 5.42 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.905 1.682 . . . . 0.0 110.559 -173.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp 72.3 -56.55 0.65 Allowed 'General case' 0 C--N 1.344 0.332 0 C-N-CA 126.717 2.007 . . . . 0.0 111.626 -178.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -71.93 71.25 0.79 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 106.223 -1.769 . . . . 0.0 106.223 167.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -141.36 144.04 34.32 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 126.003 1.721 . . . . 0.0 107.283 -168.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -119.34 129.72 55.0 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 105.22 -2.141 . . . . 0.0 105.22 169.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 93.9 t -104.48 127.21 59.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 -179.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -92.29 155.95 17.6 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.853 0.861 . . . . 0.0 109.919 -175.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -47.75 -46.4 30.0 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.354 0.662 . . . . 0.0 112.635 177.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 68.3 tp60 -63.02 -36.89 85.06 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.194 -0.942 . . . . 0.0 110.789 178.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -64.5 -45.45 87.23 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 176.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -53.35 -50.66 64.56 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 122.986 0.515 . . . . 0.0 111.002 173.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 14.0 mm -56.2 -58.42 5.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 122.963 0.505 . . . . 0.0 110.484 178.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 2.5 m -60.29 -39.57 87.41 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.485 -0.759 . . . . 0.0 110.094 -176.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -54.83 -44.32 73.78 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.647 1.179 . . . . 0.0 110.672 171.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.6 tt -55.11 -50.45 69.18 Favored 'General case' 0 C--N 1.34 0.159 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 176.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -52.23 -58.48 10.74 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 112.054 -0.418 . . . . 0.0 112.054 175.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.0 -43.94 74.07 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.241 1.016 . . . . 0.0 111.741 -177.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 4.7 tt -62.94 -62.21 1.87 Allowed 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 176.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -50.2 -38.39 39.83 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.355 1.062 . . . . 0.0 112.509 -176.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 50.1 ttp -45.37 -33.49 2.56 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.741 1.216 . . . . 0.0 112.996 177.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 4.6 pt -59.41 -30.22 43.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 119.038 0.836 . . . . 0.0 111.722 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -78.59 59.3 2.43 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 121.543 0.687 . . . . 0.0 110.185 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -58.19 -46.32 86.02 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 175.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 47.7 mp0 -75.58 54.63 0.78 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.243 1.417 . . . . 0.0 110.213 175.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -170.87 -55.32 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 127.381 2.272 . . . . 0.0 106.203 175.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 67.5 mt -56.1 -55.27 35.06 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.023 0.529 . . . . 0.0 109.99 172.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -78.96 52.09 1.21 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.899 0.88 . . . . 0.0 109.85 176.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.273 0 CA-C-O 118.002 -1.443 . . . . 0.0 112.504 -174.455 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.2 tpp . . . . . 0 N--CA 1.475 0.81 0 N-CA-C 111.53 0.196 . . . . 0.0 111.53 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.06 162.61 40.99 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 107.17 -1.418 . . . . 0.0 107.17 176.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -169.35 161.99 7.48 Favored Pre-proline 0 C--O 1.235 0.336 0 C-N-CA 124.78 1.232 . . . . 0.0 108.81 -176.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -41.07 -52.43 3.42 Favored 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 124.42 3.413 . . . . 0.0 114.471 -177.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -55.35 -53.73 52.5 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.536 0.607 . . . . 0.0 112.552 -177.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -67.96 -40.7 83.15 Favored 'General case' 0 C--O 1.231 0.099 0 O-C-N 121.544 -0.722 . . . . 0.0 110.928 -178.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -55.13 -44.05 74.7 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 173.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.479 ' HB2' HD22 ' B' ' 11' ' ' LEU . . . -68.05 -43.78 77.89 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.648 0.779 . . . . 0.0 111.197 -178.538 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 70.7 mt -55.57 -49.33 74.44 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 173.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.24 -53.03 36.68 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 175.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 55.5 tp -56.62 -48.39 77.59 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.242 0.617 . . . . 0.0 110.641 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 tt -56.04 -52.02 65.72 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 125.173 1.389 . . . . 0.0 110.233 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.9 mm -53.44 -51.52 40.81 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 173.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.98 -63.37 4.28 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 124.074 0.845 . . . . 0.0 111.779 179.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.3 pt -59.32 -41.11 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 CA-C-N 117.652 0.726 . . . . 0.0 110.814 -177.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -61.58 -51.13 69.81 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 118.599 0.636 . . . . 0.0 111.009 -179.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 14.4 t-80 -61.53 -38.57 87.89 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.177 178.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -65.88 -48.43 71.56 Favored 'General case' 0 CA--C 1.528 0.125 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -177.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -59.2 -63.3 1.35 Allowed 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 124.404 1.082 . . . . 0.0 109.381 178.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 m -59.78 -22.23 61.86 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.303 0.641 . . . . 0.0 111.471 -179.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -43.56 -31.92 1.81 Allowed Glycine 0 CA--C 1.527 0.788 0 C-N-CA 126.841 2.162 . . . . 0.0 112.605 168.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -69.61 69.52 0.27 Allowed 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 118.475 1.138 . . . . 0.0 109.68 169.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . 0.284 9.3 pt-20 53.49 -67.76 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 128.425 2.69 . . . . 0.0 113.549 -169.481 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 49.58 40.33 31.98 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 123.868 0.747 . . . . 0.0 111.37 -176.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.4 t70 60.45 -70.22 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.598 1.559 . . . . 0.0 111.644 -169.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.8 pttm -137.64 48.7 2.01 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.881 1.673 . . . . 0.0 108.442 175.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 50.64 44.33 27.51 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.872 1.269 . . . . 0.0 112.441 -173.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.4 p -116.5 174.57 6.0 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 127.606 2.362 . . . . 0.0 105.351 168.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 tt -90.71 84.04 5.83 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 -168.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.2 t -91.46 170.04 10.28 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.421 1.088 . . . . 0.0 110.491 -175.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -40.64 -48.92 2.99 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.558 1.143 . . . . 0.0 113.103 -173.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -51.02 -54.95 20.1 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.692 0.797 . . . . 0.0 110.656 175.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -66.76 -34.41 77.78 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.296 1.039 . . . . 0.0 110.766 -176.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.4 tt -61.48 -55.18 33.99 Favored 'General case' 0 C--O 1.232 0.161 0 C-N-CA 124.061 0.945 . . . . 0.0 109.601 174.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -55.48 -52.01 65.08 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.094 0.557 . . . . 0.0 109.715 178.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -55.55 -42.15 74.25 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 122.772 0.429 . . . . 0.0 110.993 176.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 59.9 tp -65.06 -48.14 74.85 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 118.824 0.738 . . . . 0.0 109.484 -177.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 82.1 mt -53.8 -53.9 23.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 174.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.4 tp60 -54.19 -41.27 68.38 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.245 0.618 . . . . 0.0 111.686 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -66.29 -61.26 2.11 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.222 0.609 . . . . 0.0 109.767 178.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -55.35 -28.26 52.67 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.531 0.733 . . . . 0.0 111.486 -178.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 tp -42.97 -38.51 2.26 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.733 0.813 . . . . 0.0 111.318 172.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.8 t -60.76 -18.02 52.36 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 -175.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.1 pt -112.66 8.95 8.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 CA-C-N 119.339 0.972 . . . . 0.0 111.771 175.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.47 110.77 4.0 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 -177.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 p -75.93 61.98 1.55 Allowed 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 126.605 1.962 . . . . 0.0 110.486 177.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt 67.02 -74.08 0.07 Allowed 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 126.766 2.026 . . . . 0.0 112.228 169.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 81.9 mt -56.59 -44.97 81.61 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 173.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -60.91 -27.39 68.14 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.379 176.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -65.84 -45.95 80.35 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 120.117 1.326 . . . . 0.0 110.198 172.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.52 -41.18 66.09 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 174.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -64.89 -37.17 86.74 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 118.493 -0.765 . . . . 0.0 112.437 173.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 53.8 mt -64.79 -48.35 84.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 120.227 1.376 . . . . 0.0 108.859 178.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 79.7 t -54.54 -54.27 23.78 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 175.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -53.39 -48.5 68.59 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.246 0.618 . . . . 0.0 110.936 178.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.4 tp -59.71 -50.0 75.56 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 122.748 0.419 . . . . 0.0 110.093 -179.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.3 tpt -63.59 -38.6 91.76 Favored 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 121.937 -0.477 . . . . 0.0 110.612 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -58.14 -51.12 71.02 Favored 'General case' 0 C--O 1.225 -0.201 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 173.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -55.06 -42.8 73.2 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 122.742 0.417 . . . . 0.0 111.483 176.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.8 tp -60.09 -46.82 88.31 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 122.898 0.479 . . . . 0.0 110.106 175.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -70.59 74.51 0.56 Allowed 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 124.165 0.986 . . . . 0.0 109.437 173.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.0 tpp85 -73.92 64.07 0.96 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.645 1.178 . . . . 0.0 110.619 -177.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 64.75 15.73 9.97 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.564 1.546 . . . . 0.0 111.024 -172.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -82.43 57.97 3.91 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.559 1.144 . . . . 0.0 108.02 176.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -77.44 60.5 2.07 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.606 0.762 . . . . 0.0 112.049 -168.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -160.4 -59.48 0.06 Allowed 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.678 1.191 . . . . 0.0 108.832 169.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -148.31 160.64 42.78 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 124.159 0.983 . . . . 0.0 111.602 172.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 19.1 m -118.71 157.24 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 N-CA-C 106.311 -1.737 . . . . 0.0 106.311 165.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -93.13 164.04 13.41 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 122.968 0.507 . . . . 0.0 110.703 -169.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -41.34 -45.06 2.93 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.382 1.073 . . . . 0.0 111.575 168.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.2 tp60 -57.7 -34.43 69.44 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 121.197 -0.939 . . . . 0.0 112.155 178.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -74.03 -40.13 63.08 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 121.557 -0.715 . . . . 0.0 110.277 175.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -52.42 -51.91 56.69 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 118.835 0.743 . . . . 0.0 109.962 171.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 16.5 mm -52.32 -55.08 11.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 C-N-CA 123.256 0.623 . . . . 0.0 110.005 174.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 25.6 m -56.71 -36.38 69.62 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.74 -0.6 . . . . 0.0 111.176 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -61.98 -41.3 97.86 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.656 0.662 . . . . 0.0 110.576 176.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.12 -51.9 62.77 Favored 'General case' 0 C--N 1.344 0.348 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 171.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.17 -53.63 14.65 Favored Glycine 0 CA--C 1.525 0.677 0 CA-C-N 115.272 -0.876 . . . . 0.0 112.236 175.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.44 -57.05 13.96 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 118.008 0.904 . . . . 0.0 110.722 -178.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.6 mp -51.96 -57.89 8.13 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 121.226 0.536 . . . . 0.0 110.247 179.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -52.76 -54.52 32.73 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.287 -178.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 31.5 ttp -59.41 -42.09 90.98 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.374 1.07 . . . . 0.0 110.942 -177.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.7 mm -55.92 -56.9 10.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 174.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.1 p90 -81.1 58.06 3.36 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 119.151 0.887 . . . . 0.0 111.363 173.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -37.7 -42.36 0.56 Allowed 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 126.896 2.078 . . . . 0.0 112.819 178.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -53.87 -32.77 54.34 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.802 0.841 . . . . 0.0 111.157 -173.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.01 -36.03 83.09 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 122.167 0.187 . . . . 0.0 111.445 176.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -71.82 -52.45 17.43 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 175.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -167.67 119.26 0.87 Allowed 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.766 0.826 . . . . 0.0 109.247 175.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.263 0 CA-C-O 116.726 -2.152 . . . . 0.0 108.986 177.443 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -52.66 -36.88 57.65 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.963 0.905 . . . . 0.0 112.537 -176.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 15.7 m 52.91 59.7 13.38 Favored Pre-proline 0 CA--C 1.537 0.475 0 C-N-CA 123.912 0.885 . . . . 0.0 112.505 174.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -57.01 -35.57 98.98 Favored 'Trans proline' 0 N--CA 1.456 -0.717 0 C-N-CA 122.636 2.224 . . . . 0.0 111.272 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 pp -54.73 -42.78 71.98 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.88 -0.513 . . . . 0.0 111.659 172.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -69.14 -45.66 69.54 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -178.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -53.01 -45.71 68.03 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 123.285 0.365 . . . . 0.0 110.02 173.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.77 -59.13 5.31 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.187 0.595 . . . . 0.0 110.523 -175.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 14.1 pt -61.27 -42.86 95.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.088 -179.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.94 -53.67 29.13 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 176.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.479 HD22 ' HB2' ' A' ' 8' ' ' ALA . 6.5 tt -57.15 -58.77 6.77 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.176 0.59 . . . . 0.0 109.994 177.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 55.0 mt -52.83 -51.67 60.02 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 121.154 0.502 . . . . 0.0 110.98 -175.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 35.5 mm -63.54 -44.63 98.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 C-N-CA 122.927 0.491 . . . . 0.0 109.984 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.17 -49.52 55.64 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 175.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.3 mp -58.53 -50.82 77.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 O-C-N 121.987 -0.714 . . . . 0.0 109.631 175.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -55.71 -39.37 70.96 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 117.771 0.259 . . . . 0.0 111.387 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -51.83 -36.16 47.12 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.492 1.117 . . . . 0.0 111.139 -179.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -59.5 -51.62 69.1 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 118.392 0.542 . . . . 0.0 110.21 177.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -59.72 -54.17 49.49 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.6 t -50.93 -43.35 60.06 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.627 0.771 . . . . 0.0 110.533 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.13 -35.05 63.4 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 125.044 1.307 . . . . 0.0 112.872 178.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -71.4 -18.04 62.37 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.412 1.106 . . . . 0.0 111.697 176.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 64.23 -74.05 0.05 OUTLIER 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 126.439 1.896 . . . . 0.0 111.873 -178.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.93 -61.96 1.31 Allowed Glycine 0 CA--C 1.529 0.921 0 N-CA-C 110.092 -1.203 . . . . 0.0 110.092 -169.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -128.13 -53.25 1.3 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.784 1.234 . . . . 0.0 111.506 172.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -150.76 -160.54 1.18 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.799 1.24 . . . . 0.0 107.954 -177.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 36.7 m170 -74.37 58.93 0.76 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.617 0.767 . . . . 0.0 109.078 172.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 18.2 p -146.26 170.79 16.05 Favored 'General case' 0 N--CA 1.44 -0.928 0 C-N-CA 126.381 1.872 . . . . 0.0 107.469 -167.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 81.5 mt -95.88 108.97 21.39 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 176.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 18.7 t -96.85 173.54 7.25 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 124.15 0.98 . . . . 0.0 108.939 168.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -44.51 -43.11 7.7 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.636 1.174 . . . . 0.0 112.604 -174.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -64.11 -45.57 88.01 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.465 -0.772 . . . . 0.0 111.907 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 46.3 mp0 -63.76 -46.49 85.05 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 177.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 36.7 tp -52.76 -57.47 10.06 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.16 0.984 . . . . 0.0 109.497 177.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -56.3 -43.12 78.6 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 121.915 -0.491 . . . . 0.0 110.954 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -55.92 -52.62 63.46 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 118.49 0.587 . . . . 0.0 110.113 174.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 58.3 tp -55.18 -52.73 62.4 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 122.901 0.48 . . . . 0.0 110.814 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 1.7 mp -54.93 -53.87 29.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 122.992 0.517 . . . . 0.0 109.788 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -57.69 -43.38 85.07 Favored 'General case' 0 CA--C 1.529 0.169 0 O-C-N 122.006 -0.434 . . . . 0.0 110.591 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -60.55 -55.9 27.79 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 122.791 0.437 . . . . 0.0 110.543 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -48.59 -44.37 36.85 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.082 0.953 . . . . 0.0 110.865 174.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 6.1 tt -62.93 -50.49 70.6 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -178.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 37.7 m -64.05 -52.19 60.55 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.042 0.937 . . . . 0.0 111.217 -176.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 pp -67.54 -30.06 47.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 O-C-N 122.117 -0.364 . . . . 0.0 110.594 -179.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 80.23 78.12 0.93 Allowed Glycine 0 C--N 1.337 0.593 0 N-CA-C 110.296 -1.122 . . . . 0.0 110.296 174.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 2.4 p -72.73 43.48 0.11 Allowed 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.632 1.573 . . . . 0.0 112.542 178.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 24.5 mmtm 55.99 -81.26 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 127.299 2.239 . . . . 0.0 111.472 178.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.703 HD13 ' H ' ' B' ' 48' ' ' LEU . 0.0 OUTLIER -80.38 45.69 0.78 Allowed 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.754 0.787 . . . . 0.0 109.681 173.744 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -57.46 -49.12 77.3 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 123.323 0.649 . . . . 0.0 112.746 -168.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -64.95 -43.73 91.76 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 120.919 -1.113 . . . . 0.0 111.995 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.43 -44.73 62.4 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 172.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -58.1 -45.5 87.09 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 118.582 -0.723 . . . . 0.0 110.919 173.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 10.0 mm -63.94 -52.3 58.48 Favored 'Isoleucine or valine' 0 C--N 1.344 0.349 0 CA-C-N 119.767 1.167 . . . . 0.0 109.672 -177.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 20.3 m -65.23 -32.79 59.78 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 O-C-N 121.723 -0.61 . . . . 0.0 111.079 -178.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -64.42 -47.42 79.19 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 118.708 0.686 . . . . 0.0 110.081 174.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 15.4 mt -55.35 -45.85 76.43 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 118.733 0.697 . . . . 0.0 110.611 175.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 55.6 ttp -59.32 -58.86 6.77 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 120.894 0.378 . . . . 0.0 110.53 176.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -60.01 -39.63 86.46 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.278 0.631 . . . . 0.0 111.762 -174.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -76.79 -70.1 0.48 Allowed 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 61.2 mt -83.57 -69.2 0.65 Allowed 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.226 0.536 . . . . 0.0 111.174 -173.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -85.57 63.63 8.18 Favored 'General case' 0 CA--C 1.521 -0.171 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -167.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 63.7 mtp85 -78.65 49.41 0.88 Allowed 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 168.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 68.52 -37.75 0.36 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.222 1.809 . . . . 0.0 112.228 -168.488 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -56.82 -28.07 60.97 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 126.263 1.825 . . . . 0.0 114.063 -175.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -71.23 74.22 0.69 Allowed 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 121.675 0.75 . . . . 0.0 111.92 -174.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -76.25 -42.12 46.82 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 106.145 -1.798 . . . . 0.0 106.145 166.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -146.93 146.55 30.17 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 125.957 1.703 . . . . 0.0 109.711 168.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 9.2 m -135.25 155.04 36.82 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 C-N-CA 125.575 1.55 . . . . 0.0 107.883 168.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -92.47 154.02 18.74 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.26 0.624 . . . . 0.0 111.976 -168.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -41.97 -46.5 4.14 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.337 1.055 . . . . 0.0 112.455 171.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 19.4 tp60 -60.42 -34.14 73.52 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.063 -1.023 . . . . 0.0 111.675 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -70.8 -42.44 70.3 Favored 'General case' 0 N--CA 1.455 -0.188 0 O-C-N 121.817 -0.552 . . . . 0.0 109.619 175.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -53.02 -49.36 66.43 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.135 0.425 . . . . 0.0 110.221 171.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 12.8 mm -56.33 -51.74 60.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 122.854 0.462 . . . . 0.0 110.421 176.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 19.7 m -55.14 -43.12 73.88 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.554 -0.716 . . . . 0.0 110.229 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -60.5 -41.41 94.25 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.068 0.547 . . . . 0.0 111.26 174.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.02 -50.77 57.92 Favored 'General case' 0 C--N 1.341 0.232 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 173.042 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.15 -60.12 8.95 Favored Glycine 0 CA--C 1.525 0.66 0 CA-C-O 119.7 -0.5 . . . . 0.0 111.939 175.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.51 -45.4 66.23 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.733 0.813 . . . . 0.0 111.771 -177.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 48.2 tp -61.55 -62.69 1.64 Allowed 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 123.682 0.793 . . . . 0.0 109.614 176.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.72 -38.25 66.88 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.896 0.878 . . . . 0.0 111.505 -174.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 15.7 tpt -52.87 -23.57 7.34 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.993 1.317 . . . . 0.0 112.461 176.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 10.5 tt -51.55 -35.77 17.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 118.975 0.807 . . . . 0.0 111.032 174.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -79.08 51.18 1.12 Allowed 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.155 0.582 . . . . 0.0 110.198 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -59.21 -22.15 60.58 Favored 'General case' 0 C--O 1.223 -0.297 0 C-N-CA 123.431 0.693 . . . . 0.0 112.215 -172.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -43.06 -40.96 3.33 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.723 0.809 . . . . 0.0 111.244 169.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -80.82 -48.41 12.48 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.292 0.637 . . . . 0.0 111.397 178.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -74.54 -23.38 58.79 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -171.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm 68.18 -61.68 0.38 Allowed 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 127.141 2.176 . . . . 0.0 111.547 -175.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.223 0 CA-C-O 117.23 -1.872 . . . . 0.0 109.352 177.106 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.475 0.779 0 N-CA-C 109.921 -0.399 . . . . 0.0 109.921 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -47.34 116.21 1.34 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.035 0.934 . . . . 0.0 111.239 -176.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.5 p -169.01 163.24 7.67 Favored Pre-proline 0 N--CA 1.453 -0.297 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 -173.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -51.5 -44.8 41.56 Favored 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 122.582 2.188 . . . . 0.0 110.99 169.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.9 mt -52.71 -62.18 1.81 Allowed 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.47 0.708 . . . . 0.0 109.65 174.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -60.85 -33.94 73.83 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -176.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.89 -43.43 98.86 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.284 0.493 . . . . 0.0 110.229 172.656 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.23 -49.1 75.51 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 42.6 mm -50.34 -55.17 6.61 Favored 'Isoleucine or valine' 0 C--N 1.342 0.254 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 172.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.79 -50.8 14.12 Favored Glycine 0 CA--C 1.527 0.81 0 C-N-CA 125.564 1.554 . . . . 0.0 112.035 178.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.77 -56.15 20.16 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 122.006 -0.703 . . . . 0.0 110.048 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.0 mt -58.26 -50.08 74.84 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-O 121.946 0.879 . . . . 0.0 111.238 -176.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.0 tt -68.5 -34.76 67.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.643 -177.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.73 -49.78 74.87 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 124.099 0.857 . . . . 0.0 110.971 173.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 75.9 mt -52.67 -53.36 20.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 174.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -58.8 -46.83 86.68 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -179.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -51.42 -42.96 61.85 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 125.505 1.522 . . . . 0.0 110.1 176.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -59.39 -51.47 69.76 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 120.989 0.423 . . . . 0.0 110.401 -176.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -62.4 -45.33 93.62 Favored 'General case' 0 C--O 1.227 -0.088 0 O-C-N 121.87 -0.519 . . . . 0.0 110.614 176.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.3 m -52.05 -41.53 62.39 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 122.342 0.257 . . . . 0.0 111.602 176.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.83 -53.14 43.13 Favored Glycine 0 CA--C 1.523 0.593 0 C-N-CA 124.733 1.158 . . . . 0.0 110.947 174.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -59.31 -37.12 76.96 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 117.577 0.688 . . . . 0.0 112.003 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -61.8 -57.72 10.77 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 118.273 0.488 . . . . 0.0 109.928 170.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.88 -71.84 0.9 Allowed Glycine 0 CA--C 1.528 0.849 0 N-CA-C 110.35 -1.1 . . . . 0.0 110.35 -175.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -80.48 52.85 1.71 Allowed 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.456 1.102 . . . . 0.0 111.064 -176.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.0 ptpp? 146.28 152.43 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 131.318 3.847 . . . . 0.0 106.814 -179.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.427 ' CE1' ' H ' ' B' ' 90' ' ' GLY . 5.7 m-70 -128.09 51.33 1.98 Allowed 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 122.475 1.131 . . . . 0.0 108.095 177.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 65.5 p -145.46 152.24 39.48 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 103.824 -2.658 . . . . 0.0 103.824 176.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.7 mp -90.88 152.32 20.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 118.977 0.808 . . . . 0.0 109.114 -169.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 m -145.97 173.18 12.38 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 126.369 1.868 . . . . 0.0 108.003 -172.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -35.93 -53.86 0.76 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.624 1.569 . . . . 0.0 111.893 175.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -42.85 -51.81 5.33 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.902 1.281 . . . . 0.0 111.536 175.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -70.99 -31.43 67.96 Favored 'General case' 0 N--CA 1.451 -0.417 0 O-C-N 121.948 -0.47 . . . . 0.0 110.959 -176.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.9 mt -62.87 -46.67 86.76 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 120.105 -0.638 . . . . 0.0 109.653 171.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 36.2 mmtp -56.41 -48.95 75.87 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.19 0.45 . . . . 0.0 110.25 176.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -53.44 -50.12 65.93 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 122.329 -0.232 . . . . 0.0 110.904 174.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 tt -56.98 -53.86 53.3 Favored 'General case' 0 C--O 1.226 -0.148 0 O-C-N 122.038 -0.414 . . . . 0.0 110.463 -179.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.4 mm -52.17 -46.58 44.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 123.961 0.904 . . . . 0.0 110.173 177.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.3 -53.95 51.54 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 119.3 -0.381 . . . . 0.0 110.619 178.287 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -62.78 -44.21 96.78 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 118.479 0.582 . . . . 0.0 111.115 -175.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -71.82 -12.24 61.19 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.455 0.702 . . . . 0.0 111.289 176.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 39.5 mt 58.45 42.27 21.42 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 126.039 1.736 . . . . 0.0 110.917 173.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 33.3 m -41.14 -50.07 3.5 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 124.774 1.229 . . . . 0.0 113.95 -171.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.1 pt -55.84 -34.35 36.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 C-N-CA 123.307 0.643 . . . . 0.0 112.085 -178.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -90.29 -50.14 3.08 Favored Glycine 0 CA--C 1.526 0.727 0 C-N-CA 124.328 0.966 . . . . 0.0 110.989 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.9 p -65.34 -53.53 42.27 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 117.56 0.68 . . . . 0.0 110.917 -174.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.4 mttm 63.32 -67.99 0.09 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 126.164 1.785 . . . . 0.0 112.285 -177.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 74.4 mt -55.77 150.09 13.44 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.876 1.27 . . . . 0.0 109.471 174.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 66.81 -67.43 0.16 Allowed 'General case' 0 C--O 1.224 -0.271 0 C-N-CA 125.058 1.343 . . . . 0.0 108.734 -167.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.59 -51.64 46.49 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -171.158 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.71 -36.57 62.38 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.351 0.523 . . . . 0.0 110.696 -178.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -73.66 -43.22 60.0 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 123.435 0.694 . . . . 0.0 109.539 172.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -63.19 -34.65 68.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 C-N-CA 122.924 0.49 . . . . 0.0 110.112 -171.176 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 41.3 t -45.76 -39.89 3.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 C-N-CA 124.29 1.036 . . . . 0.0 111.374 173.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -64.19 -43.22 95.74 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 119.039 0.836 . . . . 0.0 110.869 177.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 48.3 mt -67.54 -43.23 81.25 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -178.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 25.2 mmt -59.77 -43.27 94.42 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 173.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -56.14 -48.89 75.39 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.471 -0.768 . . . . 0.0 110.757 173.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -57.12 -44.98 83.82 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 118.393 0.542 . . . . 0.0 112.174 176.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 36.6 tp -55.77 -47.07 77.66 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.407 -0.808 . . . . 0.0 110.266 173.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -89.08 21.24 3.25 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.104 1.362 . . . . 0.0 111.6 -173.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 32.7 ptt-85 -54.71 -23.49 17.84 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 124.183 0.993 . . . . 0.0 113.332 -172.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -70.04 39.75 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.072 0.949 . . . . 0.0 111.88 169.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.39 39.05 2.85 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.465 1.506 . . . . 0.0 112.057 -176.175 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.8 t0 45.2 38.15 3.16 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.017 1.327 . . . . 0.0 112.541 -175.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -73.37 -68.83 0.47 Allowed 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 121.549 0.69 . . . . 0.0 109.502 178.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -136.78 102.49 4.91 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 106.889 -1.523 . . . . 0.0 106.889 176.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 52.3 t -90.16 96.89 6.58 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 N-CA-C 104.426 -2.435 . . . . 0.0 104.426 -175.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -88.63 159.9 17.64 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.878 -166.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -49.89 -37.39 31.07 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 122.156 -0.34 . . . . 0.0 111.481 174.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -52.66 -49.52 65.07 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 121.387 -0.821 . . . . 0.0 111.085 169.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -59.78 -46.38 89.37 Favored 'General case' 0 C--O 1.225 -0.217 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 178.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -53.23 -53.67 47.28 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.322 0.649 . . . . 0.0 111.535 176.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 24.3 mm -62.91 -54.44 33.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 O-C-N 121.746 -0.596 . . . . 0.0 110.898 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.6 p -58.25 -41.22 83.76 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 121.967 -0.458 . . . . 0.0 110.67 -178.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -54.46 -49.08 70.93 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.941 0.896 . . . . 0.0 110.887 170.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.8 tt -55.97 -50.16 71.57 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -49.98 -55.82 13.93 Favored Glycine 0 CA--C 1.532 1.099 0 N-CA-C 111.634 -0.586 . . . . 0.0 111.634 175.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.77 -51.45 68.84 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.712 0.805 . . . . 0.0 110.853 -179.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.1 tp -60.16 -43.81 95.51 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 122.939 0.496 . . . . 0.0 110.45 -178.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.37 -45.62 90.92 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 122.041 -0.412 . . . . 0.0 111.402 175.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 84.2 mtp -60.84 -43.6 98.09 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.988 -0.445 . . . . 0.0 110.915 176.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 74.1 mt -57.88 -42.43 82.26 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 174.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 16.1 m-30 -72.97 52.06 0.31 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.54 0.736 . . . . 0.0 110.726 170.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -56.61 -35.06 67.85 Favored 'General case' 0 C--O 1.22 -0.486 0 O-C-N 121.497 -0.752 . . . . 0.0 110.644 -175.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -51.28 -44.91 61.93 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.277 0.489 . . . . 0.0 111.331 175.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.43 -48.67 26.2 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 53.6 tp -63.76 -54.74 30.54 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 121.342 -0.143 . . . . 0.0 111.181 -174.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.8 tmtm? -157.68 69.21 0.54 Allowed 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.943 1.297 . . . . 0.0 110.343 -179.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 N-CA-C 106.056 -2.817 . . . . 0.0 106.056 166.508 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.472 0.653 0 CA-C-O 119.205 -0.426 . . . . 0.0 112.065 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -173.82 145.59 1.16 Allowed 'General case' 0 C--O 1.233 0.185 0 C-N-CA 124.193 0.997 . . . . 0.0 109.753 -178.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 53.6 p -153.12 164.72 19.48 Favored Pre-proline 0 C--O 1.235 0.338 0 N-CA-C 106.229 -1.767 . . . . 0.0 106.229 169.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.61 -54.58 4.34 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.096 1.864 . . . . 0.0 110.425 175.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 57.2 tp -56.44 -50.44 71.66 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.316 0.646 . . . . 0.0 110.421 178.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -61.37 -45.09 95.82 Favored 'General case' 0 N--CA 1.455 -0.179 0 O-C-N 121.896 -0.503 . . . . 0.0 111.412 -176.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -60.79 -39.35 88.58 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 122.351 -0.218 . . . . 0.0 110.626 174.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.54 -49.6 76.06 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 120.92 0.39 . . . . 0.0 110.207 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 74.1 mt -58.11 -50.16 79.11 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 175.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.62 -55.72 10.66 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 177.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 60.2 tp -53.12 -57.55 10.07 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.798 0.839 . . . . 0.0 110.06 176.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 13.3 tp -50.96 -57.81 7.62 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.149 0.979 . . . . 0.0 110.919 -177.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 32.2 mm -62.48 -42.98 97.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 -177.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -45.83 -69.78 0.75 Allowed Glycine 0 CA--C 1.529 0.916 0 C-N-CA 124.042 0.83 . . . . 0.0 111.305 172.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 9.6 pt -61.31 -41.46 89.83 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 O-C-N 121.974 -0.721 . . . . 0.0 111.115 -175.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -51.31 -57.56 8.56 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 122.912 0.485 . . . . 0.0 110.753 176.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -64.92 -28.44 69.53 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 121.103 -0.239 . . . . 0.0 110.718 -171.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -74.29 -55.95 5.44 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -54.18 -46.88 72.49 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 121.014 0.435 . . . . 0.0 109.835 176.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 12.5 m -76.72 57.39 1.27 Allowed 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.148 0.979 . . . . 0.0 110.474 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 171.33 -67.78 0.14 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.782 -0.527 . . . . 0.0 111.782 -175.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt 44.73 -75.53 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 127.624 2.37 . . . . 0.0 114.329 -176.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -61.57 -35.46 77.85 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 125.072 1.349 . . . . 0.0 110.868 178.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -149.76 159.42 28.08 Favored Glycine 0 C--N 1.336 0.577 0 N-CA-C 109.093 -1.603 . . . . 0.0 109.093 177.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -77.31 58.87 1.72 Allowed 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.016 0.908 . . . . 0.0 111.577 -175.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -61.41 -44.98 96.19 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 122.954 0.501 . . . . 0.0 109.707 177.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 17.4 m170 55.02 24.04 5.65 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 126.424 1.89 . . . . 0.0 110.649 -175.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 9.4 p -147.69 155.63 41.95 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 128.018 2.527 . . . . 0.0 104.305 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 31.0 mt -93.91 151.31 19.66 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 -172.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 25.0 t -146.45 173.43 12.29 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.865 0.866 . . . . 0.0 109.109 175.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -45.33 -45.61 12.46 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 125.396 1.479 . . . . 0.0 110.527 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 47.1 tptt -51.59 -55.87 16.77 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.943 0.897 . . . . 0.0 111.15 177.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.5 mp0 -62.9 -37.28 86.31 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.017 0.527 . . . . 0.0 110.687 -178.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 53.5 tp -63.92 -49.44 72.6 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 120.782 0.325 . . . . 0.0 110.527 176.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -51.47 67.27 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.668 0.787 . . . . 0.0 109.49 177.251 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -55.67 -45.07 77.78 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 119.399 -0.334 . . . . 0.0 110.859 176.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 60.9 tp -55.62 -56.81 16.0 Favored 'General case' 0 N--CA 1.457 -0.101 0 CA-C-N 118.657 0.662 . . . . 0.0 110.683 177.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 39.9 pt -60.88 -37.14 76.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 C-N-CA 119.503 -0.879 . . . . 0.0 111.062 -178.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -57.21 -47.96 79.99 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 122.162 -0.337 . . . . 0.0 110.508 174.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -63.54 -45.67 89.47 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 122.735 0.414 . . . . 0.0 111.332 178.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -56.45 -40.68 75.22 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 118.111 0.414 . . . . 0.0 110.524 174.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 9.3 tp 56.51 29.39 15.33 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.326 1.45 . . . . 0.0 111.364 -179.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.1 p -79.1 64.01 3.91 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.196 1.398 . . . . 0.0 109.542 -178.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 83.6 mt -79.45 -80.86 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 -176.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.63 -78.36 0.13 Allowed Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.044 -1.223 . . . . 0.0 110.044 -169.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 3.5 m 178.86 -93.23 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 127.749 2.419 . . . . 0.0 108.44 169.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -71.5 -35.34 70.74 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.942 0.497 . . . . 0.0 111.7 -169.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 4.0 pp -51.36 -28.75 13.33 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 123.358 0.663 . . . . 0.0 112.434 -176.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -42.54 -46.05 4.73 Favored 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 123.861 0.864 . . . . 0.0 111.631 171.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -69.71 -51.32 35.42 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 119.345 -0.942 . . . . 0.0 111.735 -172.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.38 -42.62 67.09 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 175.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -61.25 -39.95 92.24 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.237 175.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 1.2 mp -67.15 -45.29 86.88 Favored 'Isoleucine or valine' 0 C--N 1.339 0.134 0 CA-C-N 120.295 1.407 . . . . 0.0 108.827 -178.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 75.7 t -57.31 -55.5 20.46 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 178.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -65.05 -43.24 92.95 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 120.204 -0.598 . . . . 0.0 110.871 -177.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 49.2 tp -59.11 -49.26 78.54 Favored 'General case' 0 C--O 1.225 -0.212 0 CA-C-N 118.546 0.612 . . . . 0.0 109.631 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 25.3 ttt -49.91 -62.98 1.26 Allowed 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 174.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -49.86 -59.7 3.61 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.927 0.891 . . . . 0.0 111.809 -178.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -57.65 -51.63 68.73 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.285 1.034 . . . . 0.0 111.384 -177.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.5 tt -81.26 -53.89 5.96 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -168.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -129.11 -15.56 4.19 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 116.687 2.106 . . . . 0.0 116.687 -165.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 25.73 -64.19 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 130.135 3.374 . . . . 0.0 117.692 -175.334 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -47.33 -49.41 24.24 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.777 1.231 . . . . 0.0 109.599 169.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? 66.41 -73.85 0.07 Allowed 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 125.597 1.559 . . . . 0.0 112.54 172.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 32.41 -111.02 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 128.133 2.573 . . . . 0.0 111.619 -175.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -119.3 -49.63 2.37 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 126.318 1.847 . . . . 0.0 110.269 176.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -116.74 107.12 14.27 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.599 1.16 . . . . 0.0 109.265 -172.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 95.9 t -94.14 125.35 46.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 C-N-CA 125.463 1.505 . . . . 0.0 107.316 -178.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -92.15 152.14 20.04 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 121.089 0.471 . . . . 0.0 110.017 -171.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -39.34 -40.08 0.74 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.839 1.656 . . . . 0.0 113.648 174.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.1 tp-100 -55.82 -39.91 72.03 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.04 -1.038 . . . . 0.0 111.453 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -63.12 -41.23 99.29 Favored 'General case' 0 CA--C 1.529 0.171 0 O-C-N 121.632 -0.668 . . . . 0.0 109.977 176.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -59.97 -48.25 82.47 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 122.849 0.459 . . . . 0.0 110.778 175.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 2.9 tp -69.29 -39.61 79.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 O-C-N 121.089 -1.007 . . . . 0.0 110.922 -176.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 14.8 p -62.6 -38.36 89.87 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.151 -0.968 . . . . 0.0 109.982 173.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -57.11 -39.87 75.95 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.205 0.602 . . . . 0.0 110.852 168.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 4.0 tt -59.06 -48.82 80.2 Favored 'General case' 0 CA--C 1.528 0.122 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 175.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -46.55 -52.24 11.32 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.601 -0.6 . . . . 0.0 111.601 170.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.94 -50.86 71.69 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 117.343 0.571 . . . . 0.0 112.012 -179.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 74.1 mt -52.2 -49.86 63.05 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 118.565 0.621 . . . . 0.0 110.088 175.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.58 -43.69 98.4 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.01 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 15.6 tpt -57.74 -43.87 85.65 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 122.045 -0.409 . . . . 0.0 110.447 175.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 75.4 mt -59.31 -41.34 83.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 174.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 9.0 m-30 -73.99 52.14 0.43 Allowed 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.525 -0.734 . . . . 0.0 110.717 171.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 32.6 p-10 -52.26 -38.03 57.1 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 125.104 1.361 . . . . 0.0 111.67 -177.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -44.98 -36.56 3.46 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.229 1.412 . . . . 0.0 112.678 174.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -80.2 -44.98 18.83 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 118.026 0.376 . . . . 0.0 110.825 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 11.0 mp -57.71 -37.46 73.55 Favored 'General case' 0 N--CA 1.463 0.195 0 O-C-N 121.969 -0.457 . . . . 0.0 109.874 177.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 17.6 tptp -55.25 118.6 4.53 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 169.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . 0.427 ' H ' ' CE1' ' A' ' 27' ' ' HIS . . . . . . . . 0 C--O 1.249 1.076 0 CA-C-O 117.052 -1.971 . . . . 0.0 111.002 178.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.1 mmm . . . . . 0 N--CA 1.476 0.841 0 CA-C-O 119.951 -0.071 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 65.73 -63.48 0.22 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.511 1.924 . . . . 0.0 112.057 -178.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.6 m -150.31 80.49 7.06 Favored Pre-proline 0 N--CA 1.452 -0.363 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 173.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -46.32 -59.06 1.35 Allowed 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 124.63 3.553 . . . . 0.0 113.908 -169.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -53.02 -51.31 62.12 Favored 'General case' 0 N--CA 1.457 -0.101 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 -179.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -61.17 -49.93 75.19 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 122.587 0.355 . . . . 0.0 111.136 -175.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -62.03 -36.8 82.68 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 119.557 -0.857 . . . . 0.0 110.729 178.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.74 -54.75 22.95 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 -178.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 65.8 mt -50.69 -54.69 8.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 124.795 1.238 . . . . 0.0 109.08 175.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -52.3 -49.14 52.17 Favored Glycine 0 CA--C 1.527 0.821 0 C-N-CA 123.688 0.661 . . . . 0.0 111.766 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.3 tp -66.44 -46.62 75.85 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 122.005 -0.703 . . . . 0.0 110.707 -176.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -56.05 -48.77 75.4 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 118.495 0.589 . . . . 0.0 110.524 174.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 60.2 mt -51.6 -53.43 16.52 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.297 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 174.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -51.9 -55.71 19.71 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 123.529 0.585 . . . . 0.0 111.839 179.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.4 mm -54.92 -48.71 74.59 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.108 0 C-N-CA 123.304 0.642 . . . . 0.0 110.195 -178.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -63.28 -53.45 52.67 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 121.528 0.68 . . . . 0.0 110.581 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -54.98 -31.92 61.17 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.861 1.665 . . . . 0.0 111.799 -178.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.4 tptt -51.06 -42.46 60.56 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 118.833 0.742 . . . . 0.0 110.317 175.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -82.54 -71.79 0.47 Allowed 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 122.198 0.999 . . . . 0.0 109.858 170.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.1 m -56.93 -30.02 63.62 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 126.053 1.741 . . . . 0.0 114.259 -167.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.75 -35.07 51.74 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 124.093 0.854 . . . . 0.0 111.706 174.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -65.21 -20.51 66.47 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 117.992 0.896 . . . . 0.0 111.64 178.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -88.48 2.43 52.86 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.8 0.84 . . . . 0.0 111.362 174.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 50.99 -114.35 2.74 Favored Glycine 0 C--N 1.339 0.721 0 C-N-CA 125.448 1.499 . . . . 0.0 112.117 174.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -56.22 -44.13 79.25 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.599 0.76 . . . . 0.0 110.903 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -81.71 61.98 5.33 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -177.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -69.68 74.2 0.41 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.881 1.272 . . . . 0.0 110.595 -171.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 66.6 p -145.96 171.5 14.75 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 129.186 2.994 . . . . 0.0 106.035 -170.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.4 mt -98.28 113.56 25.54 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 173.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.0 p -90.54 164.42 14.24 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 174.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -34.93 -54.79 0.58 Allowed 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 114.217 1.192 . . . . 0.0 114.217 -172.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -59.21 -47.72 84.27 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 122.639 0.376 . . . . 0.0 111.479 -179.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -62.91 -47.37 83.54 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.094 0.558 . . . . 0.0 109.765 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -55.97 -56.33 22.05 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.736 0.815 . . . . 0.0 109.18 178.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -52.59 -54.14 37.11 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.632 0.773 . . . . 0.0 110.842 178.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -57.46 -47.84 80.76 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 -178.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 58.0 tp -56.13 -55.22 35.7 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 122.723 0.409 . . . . 0.0 110.207 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 28.5 pt -64.41 -42.0 94.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 C-N-CA 119.739 -0.784 . . . . 0.0 110.937 -174.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.57 -50.38 70.21 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.498 0.59 . . . . 0.0 110.165 174.093 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -60.86 -55.54 31.87 Favored 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 122.184 -0.323 . . . . 0.0 110.511 -177.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 52.3 tt0 -57.3 -38.05 73.39 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.192 0.597 . . . . 0.0 110.554 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 41.3 tp -62.47 -53.63 51.94 Favored 'General case' 0 C--O 1.23 0.063 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 177.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 49.4 m -54.46 -52.09 62.96 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.324 0.65 . . . . 0.0 109.979 -178.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.9 mm -61.45 -48.45 88.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 C-N-CA 122.179 0.192 . . . . 0.0 110.532 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.85 -59.62 10.16 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.496 -0.642 . . . . 0.0 111.496 -176.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 72.5 m 32.14 59.36 0.36 Allowed 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 126.015 1.726 . . . . 0.0 115.04 -176.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -98.66 -122.72 0.14 Allowed 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 105.393 -2.077 . . . . 0.0 105.393 168.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.1 mp -73.92 74.19 1.65 Allowed 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 169.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -37.33 -49.36 0.97 Allowed 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 126.173 1.789 . . . . 0.0 113.527 -171.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -72.37 -45.63 58.95 Favored 'General case' 0 N--CA 1.453 -0.302 0 O-C-N 121.22 -0.925 . . . . 0.0 113.183 -177.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.1 -44.36 67.53 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 174.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -57.08 -52.3 65.85 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 117.837 -1.078 . . . . 0.0 110.247 171.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -64.49 -43.99 96.92 Favored 'Isoleucine or valine' 0 C--N 1.342 0.281 0 CA-C-N 120.263 1.392 . . . . 0.0 109.748 -169.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 79.1 t -56.21 -59.62 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 C-N-CA 123.418 0.687 . . . . 0.0 109.38 176.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -57.91 -50.84 71.98 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 117.938 0.335 . . . . 0.0 110.52 -176.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 58.6 tp -52.45 -63.09 1.25 Allowed 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 125.458 1.503 . . . . 0.0 110.343 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 45.4 ttp -60.07 -49.46 77.58 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.031 -175.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -55.87 -55.09 36.66 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 122.436 0.294 . . . . 0.0 110.684 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -61.27 -47.46 85.9 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 123.159 0.287 . . . . 0.0 110.385 -174.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 85.8 mt -62.91 -48.75 77.61 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.749 179.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -62.61 -58.38 7.72 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -176.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 35.81 47.25 0.38 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.542 1.537 . . . . 0.0 112.833 -168.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 64.07 68.68 0.56 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.588 1.555 . . . . 0.0 111.587 179.468 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -133.04 -47.75 0.85 Allowed 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 123.8 0.84 . . . . 0.0 111.527 171.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.1 t70 66.11 -66.47 0.17 Allowed 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 126.924 2.09 . . . . 0.0 113.078 177.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . 0.258 0.0 OUTLIER -65.8 -42.8 90.26 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -169.314 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -145.84 123.54 11.86 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.497 1.119 . . . . 0.0 109.446 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 69.1 t -97.62 133.58 38.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 170.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -92.73 150.1 20.88 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.469 0.707 . . . . 0.0 109.548 -176.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -40.01 -42.6 1.42 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 126.057 1.743 . . . . 0.0 113.089 175.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -56.14 -34.16 65.85 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.578 -0.701 . . . . 0.0 112.089 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -72.05 -43.44 64.93 Favored 'General case' 0 C--O 1.227 -0.101 0 CA-C-N 118.759 0.709 . . . . 0.0 110.666 177.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -52.08 -49.54 63.35 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 172.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 14.9 mm -60.75 -47.57 92.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 C-N-CA 122.909 0.484 . . . . 0.0 111.078 177.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 41.3 m -53.98 -43.94 70.39 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.315 -0.865 . . . . 0.0 109.754 175.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -65.11 -41.21 95.12 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.07 0.548 . . . . 0.0 111.023 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.49 ' CD1' HG22 ' B' ' 9' ' ' ILE . 4.6 tp -51.24 -48.66 62.07 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 169.658 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -52.65 -57.54 13.78 Favored Glycine 0 C--O 1.222 -0.603 0 CA-C-O 118.982 -0.899 . . . . 0.0 111.626 173.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.59 -53.58 44.74 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 118.426 1.113 . . . . 0.0 111.408 -178.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.8 mt -46.89 -47.62 21.41 Favored 'General case' 0 C--O 1.226 -0.17 0 C-N-CA 124.423 1.089 . . . . 0.0 110.71 178.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.97 -58.73 3.72 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.866 0.365 . . . . 0.0 110.973 176.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 21.8 ttt -55.56 -28.59 55.84 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 126.631 1.972 . . . . 0.0 113.749 -169.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 17.7 pt -57.31 -29.01 31.78 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-N 119.363 0.983 . . . . 0.0 112.174 173.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 54.21 16.43 1.19 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.882 1.273 . . . . 0.0 114.104 173.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.25 -44.65 92.36 Favored 'General case' 0 CA--C 1.524 -0.049 0 C-N-CA 124.047 0.939 . . . . 0.0 110.229 -173.251 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -78.81 54.42 1.54 Allowed 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 122.963 0.505 . . . . 0.0 111.089 -179.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 46.06 57.17 5.42 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.344 1.057 . . . . 0.0 110.212 -176.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.2 tp 83.33 -21.72 0.27 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.452 1.501 . . . . 0.0 112.819 -176.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -84.78 53.4 2.69 Favored 'General case' 0 C--N 1.342 0.254 0 CA-C-N 120.687 1.585 . . . . 0.0 110.518 -169.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.312 0 CA-C-O 116.846 -2.085 . . . . 0.0 111.827 -172.37 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.751 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.58 -147.57 0.23 Allowed 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.843 0.857 . . . . 0.0 109.988 -176.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m -29.29 -53.52 0.29 Allowed Pre-proline 0 CA--C 1.54 0.584 0 C-N-CA 127.95 2.5 . . . . 0.0 116.427 -178.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -58.99 -49.2 11.83 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.973 1.782 . . . . 0.0 112.25 175.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 62.6 tp -62.3 -45.56 92.7 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 178.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -54.3 -56.02 22.59 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 120.705 0.288 . . . . 0.0 111.636 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -65.19 -29.14 69.93 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 120.181 -0.608 . . . . 0.0 110.863 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.7 -51.82 60.42 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.777 0.717 . . . . 0.0 110.609 176.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.49 HG22 ' CD1' ' A' ' 77' ' ' LEU . 19.7 pt -62.0 -41.26 90.31 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.131 0 O-C-N 121.945 -0.472 . . . . 0.0 109.765 177.286 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.22 -52.19 23.64 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 171.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.9 tp -60.74 -50.74 72.25 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.528 0.731 . . . . 0.0 110.462 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 66.7 mt -55.87 -46.54 78.23 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.357 0.526 . . . . 0.0 111.439 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 72.2 mt -60.49 -51.62 70.94 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 C-N-CA 123.846 0.858 . . . . 0.0 109.293 176.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.36 -53.71 33.56 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 15.2 mm -53.89 -46.45 64.18 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 C-N-CA 123.924 0.89 . . . . 0.0 109.999 176.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -54.54 -58.77 6.2 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.522 0.677 . . . . 0.0 110.492 176.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -60.0 -28.82 68.02 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.043 -176.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -62.41 -47.86 82.25 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 175.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -57.75 -49.16 77.52 Favored 'General case' 0 C--N 1.34 0.163 0 CA-C-N 118.349 0.522 . . . . 0.0 110.263 175.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 13.7 m -48.78 -49.96 36.22 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 120.734 0.302 . . . . 0.0 110.569 175.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.19 -42.64 98.71 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 125.502 1.525 . . . . 0.0 112.436 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -71.62 64.31 0.44 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.104 0.952 . . . . 0.0 110.775 176.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 49.2 40.29 17.52 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.946 1.298 . . . . 0.0 111.631 177.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.49 -53.46 1.23 Allowed Glycine 0 CA--C 1.523 0.532 0 N-CA-C 109.785 -1.326 . . . . 0.0 109.785 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 32.9 t0 66.96 153.87 0.09 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.767 2.027 . . . . 0.0 111.667 -173.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp 63.33 166.71 0.13 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.691 1.596 . . . . 0.0 112.094 -177.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -97.21 59.5 1.61 Allowed 'General case' 0 N--CA 1.458 -0.05 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 169.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 45.2 p -144.08 147.2 33.45 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 103.889 -2.634 . . . . 0.0 103.889 174.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 80.9 mt -92.09 113.4 25.66 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 178.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 36.1 t -88.54 167.39 13.46 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 175.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -42.29 -49.0 5.08 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.951 0.901 . . . . 0.0 112.882 -169.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 20.4 ttpp -62.41 -42.77 99.68 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.872 -0.518 . . . . 0.0 111.41 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -64.08 -44.41 92.45 Favored 'General case' 0 C--N 1.334 -0.069 0 O-C-N 121.471 -0.768 . . . . 0.0 109.938 178.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -54.84 -50.94 67.39 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 174.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -52.75 -49.31 65.73 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.466 0.706 . . . . 0.0 110.98 175.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -54.67 -48.31 72.52 Favored 'General case' 0 N--CA 1.464 0.227 0 O-C-N 121.26 -0.9 . . . . 0.0 110.993 175.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 10.0 tt -57.18 -56.23 24.53 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 119.313 -0.375 . . . . 0.0 110.791 178.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 44.8 pt -65.99 -32.05 56.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 118.82 0.736 . . . . 0.0 111.947 -174.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -60.64 -59.12 5.9 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 118.315 0.507 . . . . 0.0 109.89 170.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -54.6 -45.65 73.66 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.608 0.763 . . . . 0.0 111.014 -176.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -70.71 -14.33 62.41 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.076 1.351 . . . . 0.0 111.989 178.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 17.9 tp 70.66 1.07 3.54 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.178 1.791 . . . . 0.0 112.676 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.96 -25.29 60.79 Favored 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 120.994 -1.066 . . . . 0.0 111.614 179.428 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 10.4 pt -40.63 -35.84 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 123.907 0.883 . . . . 0.0 112.575 168.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -45.08 -40.6 7.32 Favored Glycine 0 CA--C 1.531 1.055 0 C-N-CA 123.782 0.706 . . . . 0.0 112.716 177.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 9.4 m 46.76 40.67 9.16 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.735 1.214 . . . . 0.0 112.772 177.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 3.9 tmtp? -109.05 -67.55 0.97 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.413 0.685 . . . . 0.0 112.139 -168.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 2.7 mp -96.15 -137.85 0.25 Allowed 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 -179.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -49.85 -32.02 13.3 Favored 'General case' 0 C--N 1.34 0.157 0 C-N-CA 123.786 0.834 . . . . 0.0 111.949 175.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -51.44 -38.01 51.54 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 172.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.8 -47.34 64.3 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 118.569 0.622 . . . . 0.0 110.53 169.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -65.35 -38.15 89.23 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 118.742 -0.647 . . . . 0.0 109.926 175.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 1.9 mp -62.58 -42.71 96.95 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 CA-C-N 120.086 1.312 . . . . 0.0 110.098 177.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 78.9 t -57.69 -42.99 82.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 O-C-N 121.514 -0.741 . . . . 0.0 109.702 172.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -57.23 -43.14 82.59 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.763 -0.586 . . . . 0.0 111.133 175.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 81.5 mt -60.21 -49.53 77.24 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 118.943 0.792 . . . . 0.0 110.575 175.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 62.1 tpp -51.97 -53.32 42.81 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 176.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -55.3 -48.74 73.66 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.816 0.847 . . . . 0.0 111.134 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -55.98 -49.6 73.13 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.313 0.645 . . . . 0.0 110.869 -179.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 88.7 mt -64.91 -43.78 91.71 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 120.49 0.186 . . . . 0.0 110.746 178.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -58.52 -48.04 82.17 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.122 0.969 . . . . 0.0 111.509 -178.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 62.45 -69.25 0.06 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 126.603 1.961 . . . . 0.0 111.497 -173.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -158.15 26.34 0.25 Allowed 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.151 1.38 . . . . 0.0 110.725 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -95.75 2.83 54.11 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.048 0.939 . . . . 0.0 112.298 -175.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -49.06 -23.08 1.05 Allowed 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 115.261 1.578 . . . . 0.0 115.261 -171.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -61.38 -48.02 83.17 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 118.456 0.571 . . . . 0.0 110.673 174.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -145.86 96.05 2.74 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 127.332 2.253 . . . . 0.0 109.319 -175.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 93.0 t -92.61 138.86 19.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -91.05 152.9 20.47 Favored 'General case' 0 C--N 1.332 -0.155 0 O-C-N 121.132 -0.98 . . . . 0.0 110.934 -168.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -40.01 -52.77 2.45 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.989 0.916 . . . . 0.0 112.873 173.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -62.06 -22.97 66.2 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 120.88 -1.137 . . . . 0.0 112.342 -178.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -71.53 -36.11 70.92 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 119.139 0.881 . . . . 0.0 110.698 171.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -61.5 -46.63 89.19 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.397 0.999 . . . . 0.0 108.358 174.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 43.8 mm -59.56 -60.41 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.313 178.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 36.0 p -61.31 -30.89 70.77 Favored 'General case' 0 C--O 1.225 -0.199 0 O-C-N 121.379 -0.826 . . . . 0.0 110.752 -177.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.86 -47.26 86.47 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.608 0.64 . . . . 0.0 111.239 169.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.6 -49.66 64.62 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 173.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -46.98 -66.89 1.64 Allowed Glycine 0 C--O 1.221 -0.672 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.476 175.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.25 -50.21 59.65 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.862 1.265 . . . . 0.0 111.516 -177.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 9.0 tt -49.71 -50.26 44.59 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 124.486 1.115 . . . . 0.0 110.408 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.46 -46.95 58.55 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 120.793 0.33 . . . . 0.0 111.344 175.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 23.6 ttp -59.85 -19.71 52.76 Favored 'General case' 0 C--N 1.333 -0.136 0 C-N-CA 126.235 1.814 . . . . 0.0 112.885 -169.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 13.5 tt -47.08 -37.83 4.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-N 118.016 0.371 . . . . 0.0 111.279 169.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 55.66 12.3 0.79 Allowed 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 115.1 1.519 . . . . 0.0 115.1 173.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -62.12 156.64 21.08 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 120.998 -1.064 . . . . 0.0 110.487 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 55.93 39.53 30.57 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.849 0.859 . . . . 0.0 110.785 -177.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . 50.0 50.65 18.12 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.93 0.892 . . . . 0.0 110.059 -172.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 13.7 tp 52.19 57.89 6.0 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.759 1.224 . . . . 0.0 109.889 -169.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 23.6 tptm 72.04 -52.56 0.7 Allowed 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.893 1.677 . . . . 0.0 112.729 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.239 0 CA-C-O 117.418 -1.768 . . . . 0.0 111.316 -176.741 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.4 mmm . . . . . 0 N--CA 1.475 0.801 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.67 -19.74 48.31 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 122.893 0.477 . . . . 0.0 110.608 169.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.15 -52.68 11.85 Favored Pre-proline 0 CA--C 1.533 0.32 0 C-N-CA 125.036 1.335 . . . . 0.0 113.156 -175.387 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.33 -46.71 30.54 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 122.309 2.006 . . . . 0.0 112.547 177.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.5 mt -60.52 -49.47 77.43 Favored 'General case' 0 CA--C 1.528 0.125 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 178.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -58.91 -45.17 90.96 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 122.584 0.353 . . . . 0.0 111.854 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -58.14 -43.32 87.27 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.923 0.889 . . . . 0.0 109.526 175.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.13 -47.96 77.91 Favored 'General case' 0 CA--C 1.529 0.157 0 O-C-N 122.138 -0.351 . . . . 0.0 110.376 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 91.7 mt -53.41 -46.29 58.34 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 173.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.1 -54.75 17.79 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 125.119 1.342 . . . . 0.0 111.415 173.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.8 mt -55.62 -50.68 69.53 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 117.234 0.517 . . . . 0.0 110.27 176.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 mp -57.07 -56.74 17.81 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.563 0.619 . . . . 0.0 111.674 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.5 tt -62.78 -39.29 84.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 O-C-N 121.76 -0.588 . . . . 0.0 110.299 -177.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.94 -54.84 32.44 Favored Glycine 0 CA--C 1.528 0.894 0 N-CA-C 110.72 -0.952 . . . . 0.0 110.72 173.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 69.5 mt -55.45 -44.13 74.77 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 C-N-CA 123.645 0.778 . . . . 0.0 109.699 177.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -57.81 -52.04 67.09 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 118.418 0.554 . . . . 0.0 110.583 177.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -61.18 -34.82 75.68 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 121.874 -0.516 . . . . 0.0 111.08 179.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -67.11 -59.75 3.19 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -78.8 -77.58 0.17 Allowed 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.9 1.28 . . . . 0.0 110.307 -173.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -53.59 -45.06 69.88 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 123.301 0.64 . . . . 0.0 110.46 -177.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.29 9.48 47.96 Favored Glycine 0 CA--C 1.529 0.932 0 CA-C-O 118.369 -1.24 . . . . 0.0 114.233 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 37.66 53.74 1.46 Allowed 'General case' 0 C--O 1.234 0.251 0 C-N-CA 125.731 1.612 . . . . 0.0 112.143 177.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 44.96 27.7 0.3 Allowed 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.792 2.037 . . . . 0.0 114.275 178.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 141.65 -45.42 0.95 Allowed Glycine 0 C--N 1.337 0.601 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -173.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -76.49 70.86 3.09 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 117.784 0.792 . . . . 0.0 109.538 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -47.18 127.29 10.39 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.855 1.662 . . . . 0.0 113.409 -170.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -155.83 166.89 32.15 Favored 'General case' 0 N--CA 1.44 -0.972 0 C-N-CA 127.4 2.28 . . . . 0.0 107.169 -178.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 65.3 p -96.0 175.72 6.38 Favored 'General case' 0 N--CA 1.439 -1.019 0 C-N-CA 127.35 2.26 . . . . 0.0 105.809 170.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 tt -88.73 77.24 7.91 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 105.946 -1.872 . . . . 0.0 105.946 -170.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.6 p -93.13 172.51 8.26 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 114.926 -1.033 . . . . 0.0 110.36 -177.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.8 pttp -32.2 -43.94 0.08 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.844 1.657 . . . . 0.0 112.69 168.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -57.08 -58.75 6.84 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 121.62 0.724 . . . . 0.0 110.855 177.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.4 mp0 -61.77 -39.83 93.02 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.886 0.874 . . . . 0.0 109.37 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.3 tp -59.67 -57.99 10.52 Favored 'General case' 0 N--CA 1.453 -0.309 0 O-C-N 121.85 -0.531 . . . . 0.0 109.926 178.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -60.38 -37.38 80.58 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 118.739 0.699 . . . . 0.0 110.975 -177.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -53.17 -56.31 17.4 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 172.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.3 tt -57.39 -50.73 72.04 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 122.875 0.47 . . . . 0.0 110.948 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 34.8 mm -55.44 -53.95 30.54 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 -179.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -56.81 -47.78 79.49 Favored 'General case' 0 CA--C 1.531 0.228 0 O-C-N 122.265 -0.272 . . . . 0.0 111.009 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -66.74 -53.59 31.74 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-O 120.682 0.277 . . . . 0.0 111.699 -174.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -78.9 -19.78 51.03 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.153 0.581 . . . . 0.0 111.792 -174.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.5 mt 67.76 -63.78 0.3 Allowed 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.776 1.63 . . . . 0.0 110.328 -169.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.7 t 45.83 36.73 2.99 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 126.814 2.045 . . . . 0.0 113.802 170.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.5 tt -78.98 58.68 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 CA-C-O 122.019 0.914 . . . . 0.0 110.138 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -75.29 65.57 2.35 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.496 -1.042 . . . . 0.0 110.496 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.6 p -50.52 -38.56 45.15 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 125.689 1.596 . . . . 0.0 112.046 -175.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -67.68 76.06 0.19 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.209 1.004 . . . . 0.0 110.21 175.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.2 mp 73.08 -54.8 0.69 Allowed 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 127.583 2.353 . . . . 0.0 112.254 172.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -37.78 -61.68 0.61 Allowed 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 126.011 1.724 . . . . 0.0 113.118 -173.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 43.8 p30 -67.99 -43.79 78.11 Favored 'General case' 0 C--N 1.332 -0.192 0 O-C-N 121.075 -1.015 . . . . 0.0 112.787 -173.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.81 -45.32 59.35 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 171.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -60.51 -44.82 95.61 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 118.772 -0.632 . . . . 0.0 110.784 174.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 82.7 mt -60.64 -49.98 82.26 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 CA-C-N 119.579 1.081 . . . . 0.0 109.39 -179.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 69.4 t -56.45 -48.09 80.64 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 123.606 0.763 . . . . 0.0 110.017 177.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -57.41 -50.97 71.28 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 122.128 -0.357 . . . . 0.0 110.628 178.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 79.3 mt -58.07 -51.75 68.38 Favored 'General case' 0 N--CA 1.457 -0.099 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 55.1 mtt -51.99 -52.91 47.37 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 122.499 0.32 . . . . 0.0 110.467 177.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -55.23 -49.59 71.59 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.335 0.654 . . . . 0.0 111.672 178.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -57.95 -52.04 67.14 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 122.881 0.473 . . . . 0.0 111.119 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 24.8 mt -65.75 -45.22 83.39 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 123.533 0.733 . . . . 0.0 110.347 -177.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -72.92 76.39 1.17 Allowed 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.724 1.209 . . . . 0.0 109.635 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.4 -32.48 1.37 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.961 1.304 . . . . 0.0 113.198 172.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -67.92 -20.09 65.06 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.986 0.915 . . . . 0.0 113.25 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? 69.27 -53.95 0.58 Allowed 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 128.425 2.69 . . . . 0.0 112.222 -175.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -65.3 106.85 1.44 Allowed 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 105.958 -1.867 . . . . 0.0 105.958 166.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -38.42 100.43 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 126.406 1.883 . . . . 0.0 112.617 -176.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -145.08 74.46 1.41 Allowed 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 127.069 2.148 . . . . 0.0 106.974 174.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.6 t -90.48 114.37 27.94 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 N-CA-C 107.07 -1.455 . . . . 0.0 107.07 -173.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -90.13 165.99 13.66 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 -177.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -52.37 -36.49 53.93 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 121.743 -0.598 . . . . 0.0 112.482 178.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -52.5 -50.34 62.98 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.431 -0.793 . . . . 0.0 110.585 171.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -63.22 -43.7 97.35 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.63 -0.508 . . . . 0.0 109.63 179.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -52.52 -46.35 66.67 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.063 0.545 . . . . 0.0 110.779 175.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 22.6 mm -59.47 -50.04 81.37 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 O-C-N 121.719 -0.613 . . . . 0.0 110.735 177.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.9 p -61.18 -32.16 71.91 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 120.734 -1.228 . . . . 0.0 111.492 174.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.22 -43.3 98.5 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 175.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.58 -53.71 50.97 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 172.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -43.4 -55.51 5.15 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 123.813 0.72 . . . . 0.0 111.576 174.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.36 -53.43 55.04 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.416 0.686 . . . . 0.0 112.232 -178.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 53.7 mt -55.9 -38.51 70.3 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 124.49 1.116 . . . . 0.0 110.749 -178.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.65 -54.74 17.15 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 171.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 56.2 ttp -52.9 -40.19 63.32 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.404 1.082 . . . . 0.0 112.535 -173.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 40.2 pt -57.43 -28.61 31.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 CA-C-N 118.57 0.623 . . . . 0.0 111.871 177.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -75.54 66.13 1.87 Allowed 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 168.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -74.31 172.93 10.96 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 127.034 2.134 . . . . 0.0 111.817 -168.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 68.0 -65.41 0.25 Allowed 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 126.328 1.851 . . . . 0.0 110.533 -174.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -41.44 -50.78 3.87 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 125.841 1.657 . . . . 0.0 112.398 -176.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -121.38 43.52 2.79 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.941 0.496 . . . . 0.0 110.777 173.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -140.37 43.98 1.88 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.988 0.915 . . . . 0.0 110.214 173.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.178 0 CA-C-O 117.551 -1.694 . . . . 0.0 112.659 176.798 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 93.9 mtp . . . . . 0 N--CA 1.475 0.782 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.17 70.38 0.23 Allowed 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.974 1.309 . . . . 0.0 109.946 177.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 19.8 m -67.81 148.33 98.49 Favored Pre-proline 0 N--CA 1.45 -0.45 0 C-N-CA 124.927 1.291 . . . . 0.0 109.023 -173.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_exo -37.09 -54.77 1.01 Allowed 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 124.944 3.763 . . . . 0.0 115.457 -170.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.88 -51.08 68.81 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 122.143 -0.348 . . . . 0.0 110.4 178.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -65.97 -40.63 91.41 Favored 'General case' 0 N--CA 1.455 -0.211 0 O-C-N 121.901 -0.499 . . . . 0.0 111.012 -178.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.32 -43.94 79.47 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 173.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.2 -47.23 68.47 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 122.587 0.355 . . . . 0.0 110.397 -176.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 18.2 mm -52.45 -51.89 30.03 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 171.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -50.51 -52.7 27.76 Favored Glycine 0 CA--C 1.528 0.889 0 C-N-CA 124.616 1.103 . . . . 0.0 111.438 178.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 56.8 tp -57.49 -53.19 61.0 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 122.416 -0.461 . . . . 0.0 110.142 178.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 55.4 tp -55.22 -60.3 3.58 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.974 0.909 . . . . 0.0 111.035 -177.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.1 pp -64.2 -39.25 84.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 C-N-CA 123.016 0.526 . . . . 0.0 110.339 -176.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.01 -56.13 27.06 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 178.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 15.0 mm -64.98 -41.75 92.93 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 O-C-N 121.84 -0.8 . . . . 0.0 109.799 -178.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -52.95 -51.74 60.41 Favored 'General case' 0 CA--C 1.528 0.099 0 O-C-N 122.023 -0.423 . . . . 0.0 110.705 174.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.98 -38.66 79.63 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 123.843 0.857 . . . . 0.0 110.124 175.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -60.0 -47.47 85.69 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 118.484 0.584 . . . . 0.0 109.752 -176.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -64.2 -66.81 0.49 Allowed 'General case' 0 C--O 1.226 -0.178 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 170.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 19.0 m -55.51 -16.43 3.84 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 -169.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.75 -25.9 31.1 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 124.927 1.251 . . . . 0.0 113.876 178.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -71.57 94.16 1.29 Allowed 'General case' 0 C--N 1.342 0.261 0 CA-C-N 119.936 1.868 . . . . 0.0 108.78 177.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 76.92 -44.29 0.46 Allowed 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 127.027 2.131 . . . . 0.0 111.293 179.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.35 150.63 20.05 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.106 -1.198 . . . . 0.0 110.106 169.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -82.04 39.7 0.58 Allowed 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.363 -1.08 . . . . 0.0 111.913 -173.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt 71.06 -49.87 0.68 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.186 1.794 . . . . 0.0 113.536 174.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 48.6 t60 -79.34 -7.95 58.71 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.347 1.459 . . . . 0.0 112.482 -178.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 6.7 t -132.72 133.27 43.28 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 118.907 0.776 . . . . 0.0 110.909 -174.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 27.2 tp -94.41 102.19 14.16 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 105.818 -1.919 . . . . 0.0 105.818 170.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 93.8 p -123.13 172.6 8.45 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.856 1.262 . . . . 0.0 111.422 -169.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.9 tttm -28.53 -58.08 0.13 Allowed 'General case' 0 C--O 1.225 -0.219 0 C-N-CA 128.445 2.698 . . . . 0.0 114.833 -169.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -63.74 -50.2 70.03 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.535 0.683 . . . . 0.0 110.052 -172.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -59.14 -46.61 87.9 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.069 0.948 . . . . 0.0 109.832 178.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 89.3 mt -56.9 -49.98 73.92 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 119.052 -0.499 . . . . 0.0 110.599 176.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm -55.29 -51.2 67.46 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 118.612 0.642 . . . . 0.0 110.179 177.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -51.52 -58.11 7.21 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.475 0.58 . . . . 0.0 110.705 176.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 38.3 tp -51.21 -65.82 0.49 Allowed 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.65 0.38 . . . . 0.0 110.693 179.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 2.2 pp -59.76 -41.36 85.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 CA-C-O 119.047 -0.501 . . . . 0.0 111.289 -171.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -58.48 -46.25 87.02 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 119.305 0.957 . . . . 0.0 110.38 176.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.85 -48.32 77.21 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 120.109 -0.636 . . . . 0.0 110.457 179.045 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -54.36 -42.65 70.54 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.07 0.395 . . . . 0.0 111.579 176.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 52.5 mt -62.52 -47.87 82.03 Favored 'General case' 0 C--O 1.226 -0.176 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 178.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 48.6 m -55.6 -59.28 5.06 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 122.59 0.356 . . . . 0.0 110.101 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 15.1 pt -65.87 -33.91 66.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 O-C-N 121.972 -0.455 . . . . 0.0 111.008 -175.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.79 -55.24 31.53 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 174.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 74.0 m 68.45 -47.48 0.55 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 127.996 2.518 . . . . 0.0 113.061 -177.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -139.3 -60.88 0.56 Allowed 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 125.289 1.435 . . . . 0.0 108.338 176.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.4 158.29 17.95 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 170.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 71.19 -54.58 0.67 Allowed 'General case' 0 C--O 1.223 -0.334 0 C-N-CA 124.486 1.115 . . . . 0.0 111.918 -172.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -39.94 -57.02 1.7 Allowed 'General case' 0 C--N 1.334 -0.081 0 N-CA-C 116.317 1.969 . . . . 0.0 116.317 -167.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.29 -40.88 71.58 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.824 0.738 . . . . 0.0 110.232 179.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -67.53 -32.1 72.66 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 123.868 0.867 . . . . 0.0 110.465 174.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 24.0 mm -68.48 -43.89 83.52 Favored 'Isoleucine or valine' 0 C--N 1.342 0.257 0 CA-C-N 119.72 1.145 . . . . 0.0 109.659 176.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 96.8 t -57.73 -49.84 79.49 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 174.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -55.22 -47.44 75.32 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 122.335 -0.228 . . . . 0.0 110.892 177.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 49.4 tp -56.67 -53.14 61.13 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.933 0.893 . . . . 0.0 110.14 177.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 25.7 ttt -54.78 -49.09 71.77 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 122.993 0.517 . . . . 0.0 110.071 -179.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -57.62 -55.07 39.59 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 122.32 0.248 . . . . 0.0 110.706 176.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -53.12 -40.91 64.54 Favored 'General case' 0 CA--C 1.527 0.095 0 C-N-CA 125.166 1.386 . . . . 0.0 111.689 -177.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 78.5 mt -65.61 -61.36 2.13 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 171.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -48.55 -50.96 29.93 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.919 0.887 . . . . 0.0 112.445 -173.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -11.77 3.74 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -177.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -54.75 -39.17 68.04 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-N 118.97 0.805 . . . . 0.0 110.953 168.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -165.39 -63.02 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 121.964 0.888 . . . . 0.0 108.971 -170.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -176.32 -178.76 0.99 Allowed 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 129.345 3.058 . . . . 0.0 104.208 -174.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.37 54.16 0.42 Allowed 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 118.906 0.776 . . . . 0.0 110.379 169.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -147.57 70.64 1.17 Allowed 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 127.331 2.252 . . . . 0.0 107.203 -179.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 55.0 t -92.44 126.27 44.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 N-CA-C 106.795 -1.558 . . . . 0.0 106.795 -170.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -93.68 154.84 17.59 Favored 'General case' 0 N--CA 1.462 0.155 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 -177.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -47.78 -48.73 30.12 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.53 0.732 . . . . 0.0 112.806 -173.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -48.96 -47.54 43.8 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.635 -0.666 . . . . 0.0 111.699 173.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -66.53 -39.96 88.87 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -56.58 -49.68 74.18 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 119.05 -0.5 . . . . 0.0 111.304 174.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.46 -42.99 97.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-N 119.62 1.1 . . . . 0.0 110.293 177.472 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 17.7 m -58.3 -42.72 87.29 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.217 179.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -57.96 -50.45 73.34 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.1 1.36 . . . . 0.0 110.927 173.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 3.4 tt -50.95 -53.16 35.35 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 176.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -52.31 -53.18 32.64 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 124.125 0.869 . . . . 0.0 111.389 175.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.36 -42.24 70.08 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 124.183 0.993 . . . . 0.0 111.6 -178.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 53.3 mt -68.57 -62.13 1.53 Allowed 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 120.591 -0.443 . . . . 0.0 110.428 172.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.74 -40.42 69.29 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.193 0.597 . . . . 0.0 112.313 -169.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 4.2 ppp? -58.95 -24.06 62.18 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 118.521 -0.752 . . . . 0.0 112.553 -178.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 95.7 mt -51.48 -37.18 18.78 Favored 'Isoleucine or valine' 0 C--N 1.342 0.254 0 CA-C-N 119.253 0.933 . . . . 0.0 109.264 173.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -93.02 -54.36 3.76 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.762 0.825 . . . . 0.0 108.806 176.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.18 -24.55 64.86 Favored 'General case' 0 C--N 1.34 0.167 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -169.674 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -47.14 -36.06 8.0 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 123.514 0.725 . . . . 0.0 111.659 173.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -44.96 -42.97 8.68 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.282 0.633 . . . . 0.0 111.204 173.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 1.9 mp -83.29 46.49 1.14 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.071 0.949 . . . . 0.0 111.38 176.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 82.9 mttt 59.7 48.14 9.67 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.409 1.083 . . . . 0.0 109.732 170.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.235 0 CA-C-O 116.628 -2.207 . . . . 0.0 108.942 -169.876 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.8 mtt . . . . . 0 N--CA 1.476 0.828 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.98 76.49 0.08 Allowed 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 124.377 1.071 . . . . 0.0 109.538 176.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -46.12 -44.43 36.94 Favored Pre-proline 0 CA--C 1.535 0.377 0 C-N-CA 126.02 1.728 . . . . 0.0 114.238 -169.165 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -54.52 -54.78 4.04 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 122.191 1.927 . . . . 0.0 111.921 173.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 60.0 tp -60.8 -44.32 96.99 Favored 'General case' 0 C--O 1.224 -0.262 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 178.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -57.79 -47.16 83.35 Favored 'General case' 0 N--CA 1.455 -0.18 0 O-C-N 122.342 -0.224 . . . . 0.0 110.664 -177.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -59.5 -41.78 90.68 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 119.693 -0.194 . . . . 0.0 110.688 173.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.24 -51.52 67.41 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.199 0.454 . . . . 0.0 110.434 -178.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 20.2 mm -53.09 -53.29 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 124.33 1.052 . . . . 0.0 109.009 174.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.05 -51.37 25.29 Favored Glycine 0 CA--C 1.526 0.775 0 C-N-CA 123.941 0.781 . . . . 0.0 111.392 178.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.8 tt -59.42 -56.98 15.1 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.501 0.72 . . . . 0.0 109.981 178.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 54.9 mt -57.53 -49.14 77.32 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 123.445 0.698 . . . . 0.0 111.528 -174.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.5 mm -56.16 -55.85 16.32 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.29 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 173.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.91 -58.85 8.02 Favored Glycine 0 CA--C 1.525 0.678 0 C-N-CA 124.242 0.925 . . . . 0.0 111.712 -176.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.4 tt -59.93 -51.05 77.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 CA-C-N 117.487 0.644 . . . . 0.0 110.121 -178.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -57.83 -38.37 75.48 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.996 0.903 . . . . 0.0 111.125 -178.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -62.57 -33.93 75.94 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 124.035 0.934 . . . . 0.0 111.707 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.13 -50.44 72.81 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 119.876 1.216 . . . . 0.0 109.963 177.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -67.92 -43.89 78.14 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.195 -178.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.7 m -52.82 -47.47 67.66 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.215 0.531 . . . . 0.0 111.324 173.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.81 -43.15 99.62 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 126.261 1.886 . . . . 0.0 112.635 -170.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -77.28 47.0 0.53 Allowed 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 118.548 1.174 . . . . 0.0 112.716 -177.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -179.05 -41.14 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 129.445 3.098 . . . . 0.0 106.133 177.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.14 -63.31 4.34 Favored Glycine 0 C--N 1.338 0.676 0 C-N-CA 124.158 0.885 . . . . 0.0 111.185 169.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -76.74 63.73 2.21 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.398 0.679 . . . . 0.0 111.275 -173.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -150.52 -131.33 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.015 0.926 . . . . 0.0 110.148 169.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 35.6 p-80 151.23 -21.6 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 130.254 3.422 . . . . 0.0 108.53 -171.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 36.2 p -92.67 171.89 8.71 Favored 'General case' 0 N--CA 1.437 -1.076 0 N-CA-C 103.962 -2.607 . . . . 0.0 103.962 166.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.9 mt -99.29 145.31 27.44 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 107.243 -1.392 . . . . 0.0 107.243 168.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.9 p -99.65 158.99 15.37 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.87 0.868 . . . . 0.0 109.15 174.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -48.5 -37.74 18.34 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.01 0.524 . . . . 0.0 110.938 172.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -50.99 -46.23 61.33 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.765 0.826 . . . . 0.0 111.271 174.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -63.09 -43.46 98.44 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 118.069 0.395 . . . . 0.0 110.732 179.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.9 mt -59.97 -48.95 79.59 Favored 'General case' 0 C--O 1.225 -0.219 0 C-N-CA 120.314 -0.554 . . . . 0.0 109.896 177.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -58.58 -42.99 89.31 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 122.678 0.391 . . . . 0.0 110.504 179.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -57.29 -54.07 50.91 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.29 0.636 . . . . 0.0 109.923 174.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.3 tp -57.49 -51.49 69.24 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.018 0.527 . . . . 0.0 111.069 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.5 mp -52.17 -48.17 43.16 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 O-C-N 122.0 -0.437 . . . . 0.0 110.286 176.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -60.59 -39.42 88.02 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.925 0.784 . . . . 0.0 111.916 176.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -59.63 -48.59 81.08 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.359 0.663 . . . . 0.0 110.773 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -63.01 -35.0 78.76 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 120.871 0.367 . . . . 0.0 111.245 172.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 43.4 tp 65.27 -71.78 0.08 Allowed 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 128.865 2.866 . . . . 0.0 109.724 -177.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.2 t 177.88 39.57 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 127.816 2.447 . . . . 0.0 107.544 169.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 19.9 tt -153.67 -49.16 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 CA-C-O 118.159 -0.924 . . . . 0.0 111.068 -173.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 22.71 -89.44 0.01 OUTLIER Glycine 0 C--N 1.345 1.046 0 C-N-CA 127.121 2.296 . . . . 0.0 113.898 -176.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 71.8 m -149.07 54.44 0.98 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.164 0.985 . . . . 0.0 108.72 168.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.1 tptm 44.28 -80.88 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 129.048 2.939 . . . . 0.0 113.858 174.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.0 mp -53.85 -43.3 69.38 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 123.819 0.848 . . . . 0.0 108.918 175.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -52.07 -39.41 59.65 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.968 0.907 . . . . 0.0 111.523 174.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.41 -42.37 22.89 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-O 118.818 -0.611 . . . . 0.0 109.737 -176.123 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -51.29 -46.98 62.68 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 172.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -55.74 -50.09 71.33 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.817 173.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 46.0 mt -73.47 -33.34 39.58 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 C-N-CA 119.484 -0.887 . . . . 0.0 112.37 -171.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 65.1 t -65.72 -49.69 75.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 O-C-N 121.317 -0.864 . . . . 0.0 108.909 174.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -54.29 -48.46 71.24 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 174.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.3 tt -52.5 -60.99 2.57 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.282 0.633 . . . . 0.0 109.835 177.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -50.73 -56.96 9.58 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -178.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -49.8 -62.1 1.75 Allowed 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 122.654 0.381 . . . . 0.0 111.301 -178.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -68.71 -43.56 75.76 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -170.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 61.0 tp -64.19 -48.07 77.33 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.497 0.719 . . . . 0.0 110.347 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -72.91 -60.75 2.08 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 122.742 0.417 . . . . 0.0 110.031 -175.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.7 tpp180 59.86 -67.34 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.111 1.765 . . . . 0.0 112.327 -169.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -143.33 7.34 1.54 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.486 1.114 . . . . 0.0 112.31 171.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -76.61 46.76 0.46 Allowed 'General case' 0 CA--C 1.534 0.348 0 O-C-N 120.321 -1.487 . . . . 0.0 110.987 176.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -77.97 40.0 0.31 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.358 1.063 . . . . 0.0 110.645 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -134.06 -72.64 0.49 Allowed 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 125.861 1.664 . . . . 0.0 106.672 -174.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -140.27 144.01 36.22 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 125.963 1.705 . . . . 0.0 107.498 168.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 71.6 t -111.34 136.74 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 126.02 1.728 . . . . 0.0 106.634 172.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -92.54 142.7 27.11 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -173.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -48.53 -39.78 24.57 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.998 -0.439 . . . . 0.0 111.262 171.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -50.15 -43.88 52.28 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.609 -0.682 . . . . 0.0 111.371 172.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -69.81 -39.89 76.25 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 118.717 -0.659 . . . . 0.0 110.247 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -55.1 -48.76 73.14 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.082 0.856 . . . . 0.0 110.437 173.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 32.0 mm -59.06 -56.67 15.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 O-C-N 121.904 -0.497 . . . . 0.0 110.752 175.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 29.1 m -57.42 -38.72 74.8 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 121.812 -0.555 . . . . 0.0 110.401 -176.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -57.26 -45.51 83.95 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.422 1.489 . . . . 0.0 111.034 173.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.4 tt -54.55 -51.8 64.08 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 174.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.59 -53.32 17.24 Favored Glycine 0 CA--C 1.53 0.976 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.814 174.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.16 -53.5 57.35 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.154 0.982 . . . . 0.0 110.938 -178.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.7 mp -55.1 -51.01 67.73 Favored 'General case' 0 CA--C 1.527 0.083 0 O-C-N 122.093 -0.379 . . . . 0.0 110.398 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.31 -47.72 80.79 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 121.19 -0.204 . . . . 0.0 111.321 178.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 28.1 ttt -57.52 -42.31 82.56 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.827 0.851 . . . . 0.0 111.282 178.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 15.8 mm -66.94 -44.84 88.41 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 124.064 0.946 . . . . 0.0 110.4 177.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.9 m-30 -55.33 -44.61 76.05 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 174.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 67.01 -68.05 0.15 Allowed 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 126.457 1.903 . . . . 0.0 114.166 167.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -58.12 -50.88 71.93 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.539 0.736 . . . . 0.0 109.067 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.85 -52.1 63.86 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.16 176.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 33.9 tp -50.66 -60.3 3.18 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 123.069 0.547 . . . . 0.0 110.066 178.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -53.08 -50.0 65.29 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.282 1.033 . . . . 0.0 111.192 -177.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.209 0 CA-C-O 117.044 -1.976 . . . . 0.0 112.685 -175.651 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mmm . . . . . 0 N--CA 1.473 0.704 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 50.73 41.11 25.77 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.031 0.933 . . . . 0.0 110.305 -170.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 7.0 p -137.12 75.51 47.1 Favored Pre-proline 0 N--CA 1.449 -0.497 0 C-N-CA 126.182 1.793 . . . . 0.0 109.204 -169.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -74.91 71.35 4.96 Favored 'Trans proline' 0 N--CA 1.454 -0.794 0 C-N-CA 123.118 2.545 . . . . 0.0 109.288 178.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 14.2 tp -57.69 -32.95 67.85 Favored 'General case' 0 N--CA 1.454 -0.239 0 O-C-N 121.697 -0.627 . . . . 0.0 110.171 -177.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -53.0 -45.94 68.13 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.815 -0.553 . . . . 0.0 112.42 170.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.16 -37.82 86.58 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 176.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.63 -50.74 71.32 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 121.323 0.582 . . . . 0.0 110.198 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 68.5 mt -55.3 -47.47 77.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 124.571 1.148 . . . . 0.0 108.687 174.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.64 -48.93 35.02 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 123.88 0.753 . . . . 0.0 111.955 173.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.54 -52.41 65.67 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.529 0.732 . . . . 0.0 109.807 179.018 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -55.5 -52.07 64.91 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.909 0.884 . . . . 0.0 110.378 -179.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 24.1 mt -49.64 -51.8 14.3 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 C-N-CA 125.03 1.332 . . . . 0.0 109.822 172.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -47.48 -64.69 2.72 Favored Glycine 0 CA--C 1.523 0.563 0 C-N-CA 124.565 1.079 . . . . 0.0 110.849 178.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 6.6 tp -58.34 -48.31 85.36 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 CA-C-N 117.311 0.556 . . . . 0.0 110.609 -178.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -47.53 -55.21 9.63 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 122.723 0.409 . . . . 0.0 111.107 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . 0.276 1.0 OUTLIER -80.23 -1.26 39.83 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -174.691 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt -66.72 -53.41 33.74 Favored 'General case' 0 C--N 1.34 0.177 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 167.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -66.11 -47.76 73.12 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.456 172.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 2.0 m -99.75 43.17 1.07 Allowed 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.078 0.951 . . . . 0.0 111.879 -169.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -179.82 -61.59 0.08 OUTLIER Glycine 0 C--N 1.333 0.393 0 O-C-N 121.086 -1.009 . . . . 0.0 111.403 179.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -73.33 71.71 1.26 Allowed 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 177.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 63.74 -155.59 0.32 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.952 1.301 . . . . 0.0 108.23 -168.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.94 -78.81 0.5 Allowed Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -176.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -152.23 163.88 38.52 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.48 1.112 . . . . 0.0 108.56 177.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -99.73 97.17 8.14 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.048 0.939 . . . . 0.0 111.033 -168.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 61.18 9.25 2.37 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.92 1.288 . . . . 0.0 113.178 170.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 33.1 p -145.8 154.16 41.72 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 129.572 3.149 . . . . 0.0 102.831 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 60.9 tp -101.34 145.19 29.23 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 -172.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 21.8 p -92.94 152.45 19.35 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -53.63 -39.35 64.9 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 168.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -49.55 -63.41 1.11 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.136 0.574 . . . . 0.0 111.566 173.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.33 -33.41 71.46 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 121.661 -0.649 . . . . 0.0 111.137 -173.49 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 42.2 tp -58.38 -50.19 74.55 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.925 -0.484 . . . . 0.0 109.858 172.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -59.94 -40.26 88.37 Favored 'General case' 0 N--CA 1.456 -0.173 0 O-C-N 121.791 -0.568 . . . . 0.0 110.758 175.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -54.83 -57.45 11.52 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.987 0.812 . . . . 0.0 109.321 175.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 62.6 tp -52.31 -55.59 20.45 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.271 0.628 . . . . 0.0 110.231 178.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 73.0 mt -54.12 -50.77 52.58 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.132 0 C-N-CA 123.015 0.526 . . . . 0.0 110.068 -178.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -55.21 -46.02 75.89 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 119.157 -0.449 . . . . 0.0 110.614 178.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 5.0 mmtm -58.8 -55.54 33.76 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 118.699 0.681 . . . . 0.0 111.105 175.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -53.92 -38.26 64.67 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 122.085 -0.384 . . . . 0.0 111.91 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 52.8 tp -81.14 -51.23 8.68 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.826 0.85 . . . . 0.0 111.335 -170.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 63.4 m 28.4 -90.75 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 128.149 2.58 . . . . 0.0 113.342 -172.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 8.6 tp -50.49 -37.07 14.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 C-N-CA 123.808 0.843 . . . . 0.0 111.769 -177.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -80.86 12.61 34.95 Favored Glycine 0 CA--C 1.531 1.077 0 CA-C-O 118.958 -0.912 . . . . 0.0 113.86 -176.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 32.1 m -81.64 55.84 2.81 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 120.246 2.023 . . . . 0.0 111.764 -174.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -115.81 -131.65 0.32 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.671 0.789 . . . . 0.0 109.686 169.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 82.1 mt -56.1 -26.3 49.14 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.678 1.191 . . . . 0.0 112.242 -173.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 27.0 mp0 -43.99 -30.79 0.77 Allowed 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 125.394 1.478 . . . . 0.0 111.851 169.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -53.94 -31.17 49.5 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 119.666 1.121 . . . . 0.0 113.542 176.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.98 -45.96 82.57 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 119.471 1.032 . . . . 0.0 109.594 170.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -64.07 -36.37 83.79 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 118.301 -0.857 . . . . 0.0 110.01 172.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 41.2 mm -63.71 -44.17 98.28 Favored 'Isoleucine or valine' 0 C--N 1.344 0.34 0 CA-C-N 120.077 1.308 . . . . 0.0 110.714 177.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 70.7 t -57.21 -49.25 80.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-N 118.97 0.804 . . . . 0.0 109.48 175.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -54.75 -49.59 70.48 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 122.347 -0.221 . . . . 0.0 110.835 176.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 62.8 tp -56.99 -54.1 50.54 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.249 1.02 . . . . 0.0 110.017 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 85.7 mmm -52.32 -52.86 50.74 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.604 0.762 . . . . 0.0 110.15 178.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -54.49 -55.19 31.62 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 122.352 0.261 . . . . 0.0 110.483 178.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -53.07 -52.92 57.0 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.434 0.693 . . . . 0.0 111.083 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 97.0 mt -58.66 -39.3 80.23 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 122.669 0.387 . . . . 0.0 111.091 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -75.53 50.67 0.55 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.26 0.624 . . . . 0.0 112.682 -175.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -60.76 -30.51 70.06 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 121.14 -0.975 . . . . 0.0 109.014 168.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -50.24 -29.46 9.56 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.868 1.667 . . . . 0.0 112.799 169.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt 50.34 51.03 17.59 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.864 1.266 . . . . 0.0 111.055 -176.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -156.38 147.19 21.9 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 -177.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.05 -38.32 70.46 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.971 0.908 . . . . 0.0 110.863 176.263 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -93.05 104.1 16.34 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 174.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 27.8 m -93.06 146.18 6.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -87.83 159.46 18.4 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 121.541 -0.725 . . . . 0.0 110.051 -168.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -44.65 -41.69 6.88 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.934 1.294 . . . . 0.0 112.401 178.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 63.7 tp60 -53.87 -41.49 67.59 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.704 0.684 . . . . 0.0 111.368 175.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -63.47 -43.54 97.03 Favored 'General case' 0 N--CA 1.455 -0.222 0 O-C-N 121.505 -0.747 . . . . 0.0 109.211 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -58.98 -46.97 86.81 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 122.458 0.303 . . . . 0.0 110.846 174.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 13.7 mm -58.08 -46.98 88.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 O-C-N 121.555 -0.715 . . . . 0.0 110.444 176.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 13.2 m -59.76 -40.95 89.91 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.442 -0.787 . . . . 0.0 109.685 177.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -60.7 -41.42 95.17 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 119.114 -0.47 . . . . 0.0 111.046 173.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.9 tt -54.64 -50.24 68.62 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 173.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -49.87 -56.66 11.29 Favored Glycine 0 CA--C 1.526 0.78 0 C-N-CA 123.323 0.487 . . . . 0.0 112.126 174.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.71 -54.82 39.63 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 117.721 0.76 . . . . 0.0 110.914 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 49.7 tp -52.43 -47.95 66.04 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.682 1.193 . . . . 0.0 110.272 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.13 -49.86 76.27 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 122.179 -0.325 . . . . 0.0 110.886 175.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 91.0 mmm -61.61 -26.03 67.72 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.339 0.656 . . . . 0.0 112.677 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 87.0 mt -52.17 -37.28 22.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 CA-C-N 120.05 1.295 . . . . 0.0 109.336 169.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -91.48 26.2 2.37 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.847 0.859 . . . . 0.0 111.86 178.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -45.3 -40.15 7.37 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 124.46 1.104 . . . . 0.0 112.076 177.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -55.63 -47.91 75.82 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.149 0.58 . . . . 0.0 110.873 177.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.37 -45.44 46.95 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.192 0.597 . . . . 0.0 110.064 -178.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 6.4 tt -48.17 -56.96 6.59 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.689 1.196 . . . . 0.0 109.508 175.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -61.79 -63.87 1.12 Allowed 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 175.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.212 0 CA-C-O 117.249 -1.862 . . . . 0.0 109.487 -172.539 . . . . . . . . 0 0 . 1 stop_ save_